USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 114 THR OG1 : rot -82:sc= 0.882 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -166:sc= -0.384 (180deg=-0.752) USER MOD Single : A 38 GLN : amide:sc= -0.0113 K(o=-0.011,f=-0.94) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 MET CE :methyl 157:sc= -0.323 (180deg=-1.18) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -0.201 (180deg=-0.747) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.306 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.25 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.88) USER MOD Single : A 71 SER OG : rot -10:sc= -0.03 USER MOD Single : A 75 LYS NZ :NH3+ -169:sc=-0.00749 (180deg=-0.146) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.78) USER MOD Single : A 83 GLN : amide:sc= -0.048 K(o=-0.048,f=-3.2!) USER MOD Single : A 89 ASN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 90 MET CE :methyl 158:sc= 0 (180deg=-0.444) USER MOD Single : A 94 THR OG1 : rot -81:sc= 0.742 USER MOD Single : A 95 THR OG1 : rot 76:sc= 0.807 USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.593 USER MOD Single : A 98 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.059) USER MOD Single : A 99 HIS : no HD1:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 100 HIS : no HE2:sc= 0.0479 K(o=0.048,f=-1.5) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 139:sc= -0.325 (180deg=-1.2) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 162:sc= -0.149 (180deg=-0.623) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.376 1.286 5.956 1.00 0.00 N ATOM 243 CA ALA A 19 19.650 2.654 5.526 1.00 0.00 C ATOM 244 C ALA A 19 18.684 3.106 4.434 1.00 0.00 C ATOM 245 O ALA A 19 17.969 4.097 4.594 1.00 0.00 O ATOM 246 CB ALA A 19 21.087 2.776 5.043 1.00 0.00 C ATOM 0 HA ALA A 19 19.505 3.307 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.278 3.801 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.767 2.515 5.854 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.247 2.100 4.203 1.00 0.00 H new ATOM 252 N GLU A 20 18.657 2.369 3.328 1.00 0.00 N ATOM 253 CA GLU A 20 17.775 2.701 2.214 1.00 0.00 C ATOM 254 C GLU A 20 16.325 2.404 2.570 1.00 0.00 C ATOM 255 O GLU A 20 15.437 3.217 2.314 1.00 0.00 O ATOM 256 CB GLU A 20 18.174 1.926 0.958 1.00 0.00 C ATOM 257 CG GLU A 20 17.416 2.358 -0.288 1.00 0.00 C ATOM 258 CD GLU A 20 17.748 1.508 -1.498 1.00 0.00 C ATOM 259 OE1 GLU A 20 18.883 1.622 -2.010 1.00 0.00 O ATOM 260 OE2 GLU A 20 16.874 0.732 -1.935 1.00 0.00 O ATOM 0 H GLU A 20 19.233 1.541 3.179 1.00 0.00 H new ATOM 0 HA GLU A 20 17.875 3.768 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.243 2.054 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.003 0.863 1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.345 2.304 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.648 3.400 -0.506 1.00 0.00 H new ATOM 267 N PHE A 21 16.093 1.233 3.156 1.00 0.00 N ATOM 268 CA PHE A 21 14.747 0.834 3.553 1.00 0.00 C ATOM 269 C PHE A 21 14.087 1.924 4.391 1.00 0.00 C ATOM 270 O PHE A 21 12.932 2.281 4.161 1.00 0.00 O ATOM 271 CB PHE A 21 14.787 -0.481 4.336 1.00 0.00 C ATOM 272 CG PHE A 21 13.427 -1.001 4.707 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.656 -1.689 3.782 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.918 -0.802 5.980 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.404 -2.166 4.120 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.667 -1.277 6.324 1.00 0.00 C ATOM 277 CZ PHE A 21 10.909 -1.960 5.393 1.00 0.00 C ATOM 0 H PHE A 21 16.817 0.546 3.366 1.00 0.00 H new ATOM 0 HA PHE A 21 14.156 0.686 2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.305 -1.233 3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.372 -0.336 5.244 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.039 -1.854 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.506 -0.269 6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.813 -2.699 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.282 -1.114 7.320 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.931 -2.332 5.660 1.00 0.00 H new ATOM 287 N ASP A 22 14.830 2.456 5.360 1.00 0.00 N ATOM 288 CA ASP A 22 14.315 3.512 6.226 1.00 0.00 C ATOM 289 C ASP A 22 13.959 4.751 5.412 1.00 0.00 C ATOM 290 O ASP A 22 12.895 5.343 5.601 1.00 0.00 O ATOM 291 CB ASP A 22 15.342 3.873 7.302 1.00 0.00 C ATOM 292 CG ASP A 22 14.861 4.986 8.211 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.184 4.682 9.215 1.00 0.00 O ATOM 294 OD2 ASP A 22 15.161 6.162 7.919 1.00 0.00 O ATOM 0 H ASP A 22 15.788 2.173 5.564 1.00 0.00 H new ATOM 0 HA ASP A 22 13.412 3.141 6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.563 2.989 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.274 4.175 6.824 1.00 0.00 H new ATOM 299 N ALA A 23 14.856 5.139 4.507 1.00 0.00 N ATOM 300 CA ALA A 23 14.628 6.303 3.658 1.00 0.00 C ATOM 301 C ALA A 23 13.299 6.182 2.920 1.00 0.00 C ATOM 302 O ALA A 23 12.553 7.155 2.796 1.00 0.00 O ATOM 303 CB ALA A 23 15.771 6.469 2.666 1.00 0.00 C ATOM 0 H ALA A 23 15.744 4.665 4.344 1.00 0.00 H new ATOM 0 HA ALA A 23 14.587 7.187 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.586 7.342 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.707 6.604 3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.840 5.580 2.038 1.00 0.00 H new ATOM 309 N VAL A 24 13.010 4.978 2.436 1.00 0.00 N ATOM 310 CA VAL A 24 11.769 4.721 1.716 1.00 0.00 C ATOM 311 C VAL A 24 10.565 4.926 2.627 1.00 0.00 C ATOM 312 O VAL A 24 9.549 5.481 2.212 1.00 0.00 O ATOM 313 CB VAL A 24 11.735 3.291 1.141 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.422 3.031 0.416 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.918 3.061 0.212 1.00 0.00 C ATOM 0 H VAL A 24 13.619 4.165 2.530 1.00 0.00 H new ATOM 0 HA VAL A 24 11.724 5.430 0.889 1.00 0.00 H new ATOM 0 HB VAL A 24 11.808 2.587 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.421 2.016 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.592 3.149 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.312 3.741 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.877 2.046 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.878 3.774 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.847 3.197 0.765 1.00 0.00 H new ATOM 325 N VAL A 25 10.689 4.472 3.873 1.00 0.00 N ATOM 326 CA VAL A 25 9.614 4.613 4.849 1.00 0.00 C ATOM 327 C VAL A 25 9.209 6.076 4.991 1.00 0.00 C ATOM 328 O VAL A 25 8.026 6.394 5.116 1.00 0.00 O ATOM 329 CB VAL A 25 10.029 4.061 6.229 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.922 4.272 7.253 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.390 2.588 6.126 1.00 0.00 C ATOM 0 H VAL A 25 11.523 4.004 4.229 1.00 0.00 H new ATOM 0 HA VAL A 25 8.766 4.034 4.484 1.00 0.00 H new ATOM 0 HB VAL A 25 10.909 4.610 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.238 3.875 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.714 5.338 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.020 3.755 6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.680 2.215 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.528 2.027 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.221 2.465 5.431 1.00 0.00 H new ATOM 341 N GLY A 26 10.201 6.963 4.974 1.00 0.00 N ATOM 342 CA GLY A 26 9.927 8.383 5.090 1.00 0.00 C ATOM 343 C GLY A 26 9.156 8.911 3.898 1.00 0.00 C ATOM 344 O GLY A 26 8.182 9.649 4.055 1.00 0.00 O ATOM 0 H GLY A 26 11.188 6.723 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.358 8.569 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.867 8.927 5.184 1.00 0.00 H new ATOM 348 N TYR A 27 9.594 8.530 2.702 1.00 0.00 N ATOM 349 CA TYR A 27 8.936 8.963 1.475 1.00 0.00 C ATOM 350 C TYR A 27 7.521 8.397 1.394 1.00 0.00 C ATOM 351 O TYR A 27 6.644 8.984 0.761 1.00 0.00 O ATOM 352 CB TYR A 27 9.742 8.526 0.250 1.00 0.00 C ATOM 353 CG TYR A 27 11.086 9.210 0.123 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.185 10.597 0.122 1.00 0.00 C ATOM 355 CD2 TYR A 27 12.256 8.470 0.006 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.411 11.225 0.005 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.485 9.092 -0.111 1.00 0.00 C ATOM 358 CZ TYR A 27 13.557 10.468 -0.110 1.00 0.00 C ATOM 359 OH TYR A 27 14.779 11.091 -0.226 1.00 0.00 O ATOM 0 H TYR A 27 10.401 7.923 2.557 1.00 0.00 H new ATOM 0 HA TYR A 27 8.878 10.051 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.897 7.448 0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.157 8.727 -0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.289 11.193 0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.205 7.391 0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.470 12.303 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.385 8.502 -0.203 1.00 0.00 H new ATOM 0 HH TYR A 27 15.485 10.415 -0.297 1.00 0.00 H new ATOM 369 N LEU A 28 7.307 7.254 2.041 1.00 0.00 N ATOM 370 CA LEU A 28 5.998 6.610 2.043 1.00 0.00 C ATOM 371 C LEU A 28 5.011 7.385 2.908 1.00 0.00 C ATOM 372 O LEU A 28 3.891 7.669 2.484 1.00 0.00 O ATOM 373 CB LEU A 28 6.111 5.169 2.544 1.00 0.00 C ATOM 374 CG LEU A 28 6.765 4.192 1.565 1.00 0.00 C ATOM 375 CD1 LEU A 28 7.015 2.852 2.238 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.892 4.013 0.332 1.00 0.00 C ATOM 0 H LEU A 28 8.023 6.756 2.570 1.00 0.00 H new ATOM 0 HA LEU A 28 5.627 6.601 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.683 5.167 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.112 4.805 2.784 1.00 0.00 H new ATOM 0 HG LEU A 28 7.724 4.605 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.481 2.169 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.676 2.992 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.068 2.433 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.371 3.315 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.919 3.620 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.759 4.975 -0.163 1.00 0.00 H new ATOM 388 N GLU A 29 5.434 7.724 4.122 1.00 0.00 N ATOM 389 CA GLU A 29 4.588 8.467 5.047 1.00 0.00 C ATOM 390 C GLU A 29 4.157 9.797 4.436 1.00 0.00 C ATOM 391 O GLU A 29 3.031 10.250 4.644 1.00 0.00 O ATOM 392 CB GLU A 29 5.326 8.707 6.365 1.00 0.00 C ATOM 393 CG GLU A 29 5.628 7.430 7.132 1.00 0.00 C ATOM 394 CD GLU A 29 6.372 7.689 8.428 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.707 7.963 9.450 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.618 7.617 8.422 1.00 0.00 O ATOM 0 H GLU A 29 6.358 7.495 4.487 1.00 0.00 H new ATOM 0 HA GLU A 29 3.695 7.874 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.261 9.227 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.726 9.366 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.694 6.913 7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.221 6.765 6.504 1.00 0.00 H new ATOM 403 N ASP A 30 5.062 10.416 3.683 1.00 0.00 N ATOM 404 CA ASP A 30 4.777 11.692 3.035 1.00 0.00 C ATOM 405 C ASP A 30 3.624 11.550 2.044 1.00 0.00 C ATOM 406 O ASP A 30 2.842 12.480 1.849 1.00 0.00 O ATOM 407 CB ASP A 30 6.022 12.207 2.312 1.00 0.00 C ATOM 408 CG ASP A 30 5.780 13.530 1.612 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.974 14.585 2.251 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.396 13.510 0.423 1.00 0.00 O ATOM 0 H ASP A 30 5.999 10.054 3.507 1.00 0.00 H new ATOM 0 HA ASP A 30 4.488 12.408 3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.834 12.323 3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.346 11.466 1.581 1.00 0.00 H new ATOM 415 N ILE A 31 3.528 10.379 1.422 1.00 0.00 N ATOM 416 CA ILE A 31 2.474 10.111 0.451 1.00 0.00 C ATOM 417 C ILE A 31 1.145 9.830 1.148 1.00 0.00 C ATOM 418 O ILE A 31 0.084 10.227 0.666 1.00 0.00 O ATOM 419 CB ILE A 31 2.830 8.913 -0.451 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.142 9.178 -1.195 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.704 8.636 -1.437 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.694 7.960 -1.905 1.00 0.00 C ATOM 0 H ILE A 31 4.169 9.600 1.574 1.00 0.00 H new ATOM 0 HA ILE A 31 2.378 11.004 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 31 2.961 8.032 0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.982 9.972 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.885 9.542 -0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.972 7.787 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.789 8.408 -0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.543 9.514 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.624 8.223 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.887 7.171 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.970 7.608 -2.639 1.00 0.00 H new ATOM 434 N ILE A 32 1.212 9.142 2.282 1.00 0.00 N ATOM 435 CA ILE A 32 0.013 8.804 3.042 1.00 0.00 C ATOM 436 C ILE A 32 -0.642 10.056 3.618 1.00 0.00 C ATOM 437 O ILE A 32 -1.866 10.137 3.721 1.00 0.00 O ATOM 438 CB ILE A 32 0.332 7.826 4.191 1.00 0.00 C ATOM 439 CG1 ILE A 32 1.048 6.586 3.647 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.945 7.431 4.919 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.523 5.635 4.724 1.00 0.00 C ATOM 0 H ILE A 32 2.082 8.807 2.696 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.677 8.323 2.349 1.00 0.00 H new ATOM 0 HB ILE A 32 0.993 8.323 4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.374 6.053 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.904 6.904 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.704 6.740 5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.419 8.322 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.628 6.948 4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.020 4.782 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.223 6.150 5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.669 5.287 5.305 1.00 0.00 H new ATOM 453 N MET A 33 0.182 11.032 3.990 1.00 0.00 N ATOM 454 CA MET A 33 -0.315 12.279 4.559 1.00 0.00 C ATOM 455 C MET A 33 -0.481 13.345 3.480 1.00 0.00 C ATOM 456 O MET A 33 -0.640 14.527 3.783 1.00 0.00 O ATOM 457 CB MET A 33 0.640 12.781 5.643 1.00 0.00 C ATOM 458 CG MET A 33 0.893 11.767 6.747 1.00 0.00 C ATOM 459 SD MET A 33 2.016 12.385 8.015 1.00 0.00 S ATOM 460 CE MET A 33 3.494 12.678 7.046 1.00 0.00 C ATOM 0 H MET A 33 1.197 10.982 3.907 1.00 0.00 H new ATOM 0 HA MET A 33 -1.291 12.083 5.002 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.591 13.049 5.182 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.231 13.691 6.083 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.056 11.495 7.209 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.308 10.858 6.312 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.344 12.822 7.713 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.681 11.821 6.400 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.357 13.570 6.435 1.00 0.00 H new ATOM 470 N ASP A 34 -0.450 12.920 2.222 1.00 0.00 N ATOM 471 CA ASP A 34 -0.593 13.839 1.098 1.00 0.00 C ATOM 472 C ASP A 34 -2.055 14.236 0.899 1.00 0.00 C ATOM 473 O ASP A 34 -2.953 13.400 0.991 1.00 0.00 O ATOM 474 CB ASP A 34 -0.042 13.204 -0.179 1.00 0.00 C ATOM 475 CG ASP A 34 -0.036 14.165 -1.351 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.049 14.219 -2.080 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.983 14.862 -1.542 1.00 0.00 O ATOM 0 H ASP A 34 -0.327 11.944 1.954 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.021 14.740 1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.974 12.852 0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.641 12.330 -0.434 1.00 0.00 H new ATOM 482 N ASP A 35 -2.280 15.517 0.624 1.00 0.00 N ATOM 483 CA ASP A 35 -3.628 16.036 0.413 1.00 0.00 C ATOM 484 C ASP A 35 -4.321 15.319 -0.743 1.00 0.00 C ATOM 485 O ASP A 35 -5.440 14.824 -0.599 1.00 0.00 O ATOM 486 CB ASP A 35 -3.576 17.538 0.133 1.00 0.00 C ATOM 487 CG ASP A 35 -2.968 18.318 1.282 1.00 0.00 C ATOM 488 OD1 ASP A 35 -1.725 18.342 1.393 1.00 0.00 O ATOM 489 OD2 ASP A 35 -3.737 18.908 2.071 1.00 0.00 O ATOM 0 H ASP A 35 -1.543 16.218 0.542 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.203 15.856 1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.995 17.717 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.585 17.905 -0.058 1.00 0.00 H new ATOM 494 N GLU A 36 -3.647 15.269 -1.888 1.00 0.00 N ATOM 495 CA GLU A 36 -4.193 14.617 -3.072 1.00 0.00 C ATOM 496 C GLU A 36 -4.460 13.137 -2.811 1.00 0.00 C ATOM 497 O GLU A 36 -5.271 12.512 -3.495 1.00 0.00 O ATOM 498 CB GLU A 36 -3.230 14.772 -4.251 1.00 0.00 C ATOM 499 CG GLU A 36 -3.758 14.195 -5.554 1.00 0.00 C ATOM 500 CD GLU A 36 -5.038 14.867 -6.013 1.00 0.00 C ATOM 501 OE1 GLU A 36 -6.127 14.406 -5.610 1.00 0.00 O ATOM 502 OE2 GLU A 36 -4.951 15.853 -6.774 1.00 0.00 O ATOM 0 H GLU A 36 -2.720 15.673 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.140 15.098 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.014 15.831 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.287 14.284 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.998 14.301 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.938 13.127 -5.428 1.00 0.00 H new ATOM 509 N PHE A 37 -3.777 12.582 -1.814 1.00 0.00 N ATOM 510 CA PHE A 37 -3.941 11.175 -1.467 1.00 0.00 C ATOM 511 C PHE A 37 -5.229 10.952 -0.681 1.00 0.00 C ATOM 512 O PHE A 37 -5.905 9.939 -0.857 1.00 0.00 O ATOM 513 CB PHE A 37 -2.740 10.684 -0.656 1.00 0.00 C ATOM 514 CG PHE A 37 -2.809 9.226 -0.299 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.550 8.253 -1.250 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.134 8.830 0.989 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.613 6.912 -0.925 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.198 7.490 1.320 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.938 6.529 0.362 1.00 0.00 C ATOM 0 H PHE A 37 -3.106 13.085 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.002 10.604 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.829 10.867 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.667 11.270 0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.296 8.546 -2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.339 9.577 1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.408 6.164 -1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.451 7.194 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.989 5.481 0.619 1.00 0.00 H new ATOM 529 N GLN A 38 -5.562 11.902 0.188 1.00 0.00 N ATOM 530 CA GLN A 38 -6.769 11.808 1.000 1.00 0.00 C ATOM 531 C GLN A 38 -8.021 11.885 0.132 1.00 0.00 C ATOM 532 O GLN A 38 -8.955 11.101 0.302 1.00 0.00 O ATOM 533 CB GLN A 38 -6.791 12.929 2.039 1.00 0.00 C ATOM 534 CG GLN A 38 -5.616 12.886 3.002 1.00 0.00 C ATOM 535 CD GLN A 38 -5.689 11.713 3.959 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.775 11.239 4.298 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.531 11.241 4.406 1.00 0.00 N ATOM 0 H GLN A 38 -5.012 12.746 0.347 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.761 10.843 1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.794 13.890 1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.719 12.869 2.608 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.687 12.829 2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.585 13.814 3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.655 11.664 4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.517 10.455 5.056 1.00 0.00 H new ATOM 546 N LEU A 39 -8.033 12.835 -0.796 1.00 0.00 N ATOM 547 CA LEU A 39 -9.173 13.024 -1.688 1.00 0.00 C ATOM 548 C LEU A 39 -9.337 11.832 -2.630 1.00 0.00 C ATOM 549 O LEU A 39 -10.448 11.348 -2.842 1.00 0.00 O ATOM 550 CB LEU A 39 -8.997 14.322 -2.489 1.00 0.00 C ATOM 551 CG LEU A 39 -10.230 14.824 -3.261 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.430 14.035 -4.546 1.00 0.00 C ATOM 553 CD2 LEU A 39 -11.481 14.757 -2.394 1.00 0.00 C ATOM 0 H LEU A 39 -7.265 13.488 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.077 13.098 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.682 15.107 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.185 14.176 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.052 15.866 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.308 14.411 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.552 14.146 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.574 12.981 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.338 15.117 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.657 13.726 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.345 15.380 -1.510 1.00 0.00 H new ATOM 565 N LEU A 40 -8.225 11.363 -3.188 1.00 0.00 N ATOM 566 CA LEU A 40 -8.247 10.234 -4.115 1.00 0.00 C ATOM 567 C LEU A 40 -8.710 8.951 -3.427 1.00 0.00 C ATOM 568 O LEU A 40 -9.621 8.277 -3.906 1.00 0.00 O ATOM 569 CB LEU A 40 -6.857 10.028 -4.729 1.00 0.00 C ATOM 570 CG LEU A 40 -6.734 8.839 -5.689 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.801 9.180 -6.841 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.234 7.605 -4.951 1.00 0.00 C ATOM 0 H LEU A 40 -7.296 11.747 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.961 10.467 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.576 10.936 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.137 9.898 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.722 8.622 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.725 8.325 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.195 10.037 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.813 9.423 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.153 6.772 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.255 7.812 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.935 7.347 -4.157 1.00 0.00 H new ATOM 584 N GLN A 41 -8.075 8.622 -2.307 1.00 0.00 N ATOM 585 CA GLN A 41 -8.411 7.413 -1.559 1.00 0.00 C ATOM 586 C GLN A 41 -9.894 7.371 -1.197 1.00 0.00 C ATOM 587 O GLN A 41 -10.588 6.399 -1.498 1.00 0.00 O ATOM 588 CB GLN A 41 -7.564 7.329 -0.286 1.00 0.00 C ATOM 589 CG GLN A 41 -7.809 6.069 0.530 1.00 0.00 C ATOM 590 CD GLN A 41 -7.014 6.045 1.822 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.718 7.091 2.400 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.664 4.849 2.280 1.00 0.00 N ATOM 0 H GLN A 41 -7.324 9.176 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.195 6.557 -2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.510 7.376 -0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.771 8.200 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.872 5.991 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.548 5.197 -0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.931 4.008 1.768 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.128 4.771 3.144 1.00 0.00 H new ATOM 601 N ARG A 42 -10.374 8.432 -0.557 1.00 0.00 N ATOM 602 CA ARG A 42 -11.773 8.513 -0.144 1.00 0.00 C ATOM 603 C ARG A 42 -12.711 8.512 -1.349 1.00 0.00 C ATOM 604 O ARG A 42 -13.812 7.963 -1.285 1.00 0.00 O ATOM 605 CB ARG A 42 -11.998 9.773 0.697 1.00 0.00 C ATOM 606 CG ARG A 42 -13.350 9.814 1.395 1.00 0.00 C ATOM 607 CD ARG A 42 -14.419 10.449 0.518 1.00 0.00 C ATOM 608 NE ARG A 42 -14.069 11.811 0.126 1.00 0.00 N ATOM 609 CZ ARG A 42 -14.843 12.583 -0.631 1.00 0.00 C ATOM 610 NH1 ARG A 42 -16.010 12.129 -1.070 1.00 0.00 N ATOM 611 NH2 ARG A 42 -14.454 13.809 -0.948 1.00 0.00 N ATOM 0 H ARG A 42 -9.815 9.249 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.999 7.632 0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.210 9.843 1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.905 10.649 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.653 8.801 1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.262 10.375 2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.563 9.841 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.368 10.459 1.054 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.180 12.192 0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.315 11.186 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.602 12.723 -1.651 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.559 14.163 -0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.050 14.399 -1.529 1.00 0.00 H new ATOM 625 N ASN A 43 -12.273 9.128 -2.444 1.00 0.00 N ATOM 626 CA ASN A 43 -13.089 9.205 -3.653 1.00 0.00 C ATOM 627 C ASN A 43 -13.510 7.818 -4.132 1.00 0.00 C ATOM 628 O ASN A 43 -14.688 7.576 -4.394 1.00 0.00 O ATOM 629 CB ASN A 43 -12.325 9.927 -4.764 1.00 0.00 C ATOM 630 CG ASN A 43 -13.143 10.065 -6.033 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.126 9.186 -6.895 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.867 11.172 -6.153 1.00 0.00 N ATOM 0 H ASN A 43 -11.361 9.579 -2.519 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.990 9.768 -3.408 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.031 10.917 -4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.407 9.381 -4.984 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.439 11.320 -6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.851 11.874 -5.414 1.00 0.00 H new ATOM 639 N PHE A 44 -12.544 6.911 -4.238 1.00 0.00 N ATOM 640 CA PHE A 44 -12.822 5.551 -4.689 1.00 0.00 C ATOM 641 C PHE A 44 -13.479 4.729 -3.587 1.00 0.00 C ATOM 642 O PHE A 44 -14.344 3.901 -3.861 1.00 0.00 O ATOM 643 CB PHE A 44 -11.532 4.872 -5.155 1.00 0.00 C ATOM 644 CG PHE A 44 -11.062 5.336 -6.504 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.471 6.581 -6.658 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.212 4.528 -7.620 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.040 7.010 -7.900 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.782 4.951 -8.863 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.196 6.194 -9.003 1.00 0.00 C ATOM 0 H PHE A 44 -11.564 7.092 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.516 5.610 -5.528 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.747 5.059 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.689 3.794 -5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.346 7.223 -5.798 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.671 3.556 -7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.582 7.982 -8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.904 4.311 -9.724 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.860 6.527 -9.974 1.00 0.00 H new ATOM 659 N MET A 45 -13.066 4.956 -2.343 1.00 0.00 N ATOM 660 CA MET A 45 -13.634 4.228 -1.213 1.00 0.00 C ATOM 661 C MET A 45 -15.145 4.424 -1.153 1.00 0.00 C ATOM 662 O MET A 45 -15.871 3.578 -0.631 1.00 0.00 O ATOM 663 CB MET A 45 -12.996 4.683 0.100 1.00 0.00 C ATOM 664 CG MET A 45 -11.620 4.083 0.347 1.00 0.00 C ATOM 665 SD MET A 45 -10.972 4.478 1.982 1.00 0.00 S ATOM 666 CE MET A 45 -12.238 3.763 3.032 1.00 0.00 C ATOM 0 H MET A 45 -12.345 5.633 -2.093 1.00 0.00 H new ATOM 0 HA MET A 45 -13.423 3.168 -1.355 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.914 5.770 0.097 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.654 4.415 0.926 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.675 3.000 0.234 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.928 4.448 -0.412 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.819 3.554 4.016 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.067 4.464 3.132 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.599 2.836 2.587 1.00 0.00 H new ATOM 676 N ASP A 46 -15.608 5.548 -1.689 1.00 0.00 N ATOM 677 CA ASP A 46 -17.032 5.860 -1.705 1.00 0.00 C ATOM 678 C ASP A 46 -17.782 4.899 -2.623 1.00 0.00 C ATOM 679 O ASP A 46 -18.953 4.593 -2.397 1.00 0.00 O ATOM 680 CB ASP A 46 -17.252 7.305 -2.161 1.00 0.00 C ATOM 681 CG ASP A 46 -18.700 7.735 -2.042 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.491 7.417 -2.955 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.044 8.392 -1.035 1.00 0.00 O ATOM 0 H ASP A 46 -15.016 6.259 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.421 5.746 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.628 7.970 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.929 7.409 -3.197 1.00 0.00 H new ATOM 688 N LYS A 47 -17.100 4.433 -3.665 1.00 0.00 N ATOM 689 CA LYS A 47 -17.697 3.506 -4.620 1.00 0.00 C ATOM 690 C LYS A 47 -17.443 2.055 -4.217 1.00 0.00 C ATOM 691 O LYS A 47 -18.340 1.213 -4.283 1.00 0.00 O ATOM 692 CB LYS A 47 -17.141 3.760 -6.024 1.00 0.00 C ATOM 693 CG LYS A 47 -17.687 5.020 -6.677 1.00 0.00 C ATOM 694 CD LYS A 47 -16.904 6.254 -6.260 1.00 0.00 C ATOM 695 CE LYS A 47 -15.584 6.354 -7.005 1.00 0.00 C ATOM 696 NZ LYS A 47 -15.782 6.447 -8.479 1.00 0.00 N ATOM 0 H LYS A 47 -16.132 4.683 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.774 3.677 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.055 3.832 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.372 2.903 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.649 4.914 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.735 5.145 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.500 7.146 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.716 6.221 -5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.036 7.230 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.971 5.482 -6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.956 6.907 -8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.893 5.492 -8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.635 7.007 -8.680 1.00 0.00 H new ATOM 710 N TYR A 48 -16.216 1.772 -3.797 1.00 0.00 N ATOM 711 CA TYR A 48 -15.829 0.426 -3.390 1.00 0.00 C ATOM 712 C TYR A 48 -16.663 -0.067 -2.209 1.00 0.00 C ATOM 713 O TYR A 48 -17.238 -1.155 -2.261 1.00 0.00 O ATOM 714 CB TYR A 48 -14.343 0.393 -3.021 1.00 0.00 C ATOM 715 CG TYR A 48 -13.410 0.359 -4.213 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.552 1.259 -5.263 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.381 -0.574 -4.285 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.698 1.229 -6.349 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.523 -0.610 -5.368 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.686 0.294 -6.396 1.00 0.00 C ATOM 721 OH TYR A 48 -10.833 0.262 -7.476 1.00 0.00 O ATOM 0 H TYR A 48 -15.467 2.461 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.012 -0.239 -4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.110 1.269 -2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.153 -0.482 -2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.343 1.994 -5.229 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.250 -1.283 -3.481 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.823 1.935 -7.157 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.730 -1.342 -5.409 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.905 0.251 -7.160 1.00 0.00 H new ATOM 731 N TYR A 49 -16.731 0.737 -1.150 1.00 0.00 N ATOM 732 CA TYR A 49 -17.484 0.362 0.045 1.00 0.00 C ATOM 733 C TYR A 49 -18.935 0.027 -0.292 1.00 0.00 C ATOM 734 O TYR A 49 -19.621 -0.638 0.485 1.00 0.00 O ATOM 735 CB TYR A 49 -17.408 1.475 1.103 1.00 0.00 C ATOM 736 CG TYR A 49 -18.652 2.335 1.218 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.863 3.408 0.363 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.609 2.074 2.192 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.993 4.198 0.474 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.740 2.859 2.309 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.927 3.919 1.448 1.00 0.00 C ATOM 742 OH TYR A 49 -22.052 4.704 1.561 1.00 0.00 O ATOM 0 H TYR A 49 -16.276 1.648 -1.095 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.028 -0.537 0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.208 1.020 2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.559 2.119 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.133 3.630 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.466 1.244 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.142 5.029 -0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.474 2.643 3.071 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.609 4.373 2.296 1.00 0.00 H new ATOM 752 N LEU A 50 -19.397 0.486 -1.451 1.00 0.00 N ATOM 753 CA LEU A 50 -20.761 0.215 -1.885 1.00 0.00 C ATOM 754 C LEU A 50 -20.857 -1.171 -2.506 1.00 0.00 C ATOM 755 O LEU A 50 -21.767 -1.941 -2.198 1.00 0.00 O ATOM 756 CB LEU A 50 -21.232 1.270 -2.889 1.00 0.00 C ATOM 757 CG LEU A 50 -21.490 2.659 -2.303 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.847 3.643 -3.407 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.599 2.600 -1.262 1.00 0.00 C ATOM 0 H LEU A 50 -18.848 1.045 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.408 0.256 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.483 1.359 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.149 0.916 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.578 3.003 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.028 4.627 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.024 3.706 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.746 3.303 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.770 3.597 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.515 2.236 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.307 1.925 -0.457 1.00 0.00 H new ATOM 771 N GLU A 51 -19.910 -1.481 -3.386 1.00 0.00 N ATOM 772 CA GLU A 51 -19.878 -2.776 -4.053 1.00 0.00 C ATOM 773 C GLU A 51 -19.744 -3.906 -3.037 1.00 0.00 C ATOM 774 O GLU A 51 -20.448 -4.913 -3.116 1.00 0.00 O ATOM 775 CB GLU A 51 -18.718 -2.832 -5.048 1.00 0.00 C ATOM 776 CG GLU A 51 -18.795 -1.773 -6.134 1.00 0.00 C ATOM 777 CD GLU A 51 -20.070 -1.863 -6.948 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.078 -2.593 -7.962 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.062 -1.206 -6.571 1.00 0.00 O ATOM 0 H GLU A 51 -19.154 -0.851 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.817 -2.903 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.780 -2.716 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.698 -3.817 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.729 -0.785 -5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.937 -1.876 -6.798 1.00 0.00 H new ATOM 786 N PHE A 52 -18.840 -3.727 -2.079 1.00 0.00 N ATOM 787 CA PHE A 52 -18.608 -4.732 -1.047 1.00 0.00 C ATOM 788 C PHE A 52 -19.766 -4.771 -0.056 1.00 0.00 C ATOM 789 O PHE A 52 -19.750 -4.080 0.963 1.00 0.00 O ATOM 790 CB PHE A 52 -17.294 -4.454 -0.312 1.00 0.00 C ATOM 791 CG PHE A 52 -16.070 -4.783 -1.119 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.547 -3.867 -2.019 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.442 -6.010 -0.978 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.422 -4.170 -2.762 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.317 -6.318 -1.718 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.805 -5.397 -2.611 1.00 0.00 C ATOM 0 H PHE A 52 -18.256 -2.895 -1.996 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.539 -5.705 -1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.261 -3.401 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.275 -5.032 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.024 -2.906 -2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.837 -6.734 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.025 -3.448 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.838 -7.279 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.925 -5.635 -3.190 1.00 0.00 H new ATOM 806 N GLU A 53 -20.775 -5.580 -0.367 1.00 0.00 N ATOM 807 CA GLU A 53 -21.946 -5.713 0.494 1.00 0.00 C ATOM 808 C GLU A 53 -21.894 -7.015 1.286 1.00 0.00 C ATOM 809 O GLU A 53 -21.432 -8.040 0.783 1.00 0.00 O ATOM 810 CB GLU A 53 -23.225 -5.665 -0.342 1.00 0.00 C ATOM 811 CG GLU A 53 -23.380 -4.384 -1.146 1.00 0.00 C ATOM 812 CD GLU A 53 -24.652 -4.364 -1.971 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.627 -4.864 -3.115 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.674 -3.846 -1.472 1.00 0.00 O ATOM 0 H GLU A 53 -20.805 -6.154 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.946 -4.880 1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.235 -6.515 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.085 -5.776 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.378 -3.531 -0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.521 -4.268 -1.807 1.00 0.00 H new ATOM 821 N ASP A 54 -22.369 -6.968 2.525 1.00 0.00 N ATOM 822 CA ASP A 54 -22.379 -8.146 3.385 1.00 0.00 C ATOM 823 C ASP A 54 -23.439 -9.143 2.930 1.00 0.00 C ATOM 824 O ASP A 54 -24.603 -9.046 3.318 1.00 0.00 O ATOM 825 CB ASP A 54 -22.635 -7.744 4.838 1.00 0.00 C ATOM 826 CG ASP A 54 -22.559 -8.925 5.784 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.586 -9.614 5.959 1.00 0.00 O ATOM 828 OD2 ASP A 54 -21.470 -9.164 6.349 1.00 0.00 O ATOM 0 H ASP A 54 -22.752 -6.127 2.957 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.401 -8.622 3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.905 -6.993 5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.619 -7.281 4.917 1.00 0.00 H new ATOM 833 N THR A 55 -23.029 -10.097 2.098 1.00 0.00 N ATOM 834 CA THR A 55 -23.944 -11.112 1.588 1.00 0.00 C ATOM 835 C THR A 55 -23.232 -12.448 1.396 1.00 0.00 C ATOM 836 O THR A 55 -22.018 -12.547 1.574 1.00 0.00 O ATOM 837 CB THR A 55 -24.576 -10.684 0.248 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.550 -10.342 -0.692 1.00 0.00 O ATOM 839 CG2 THR A 55 -25.513 -9.500 0.438 1.00 0.00 C ATOM 0 H THR A 55 -22.070 -10.188 1.763 1.00 0.00 H new ATOM 0 HA THR A 55 -24.733 -11.225 2.332 1.00 0.00 H new ATOM 0 HB THR A 55 -25.156 -11.524 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.955 -9.924 -1.480 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.944 -9.220 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 55 -26.311 -9.775 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.956 -8.657 0.845 1.00 0.00 H new ATOM 847 N GLU A 56 -23.998 -13.471 1.033 1.00 0.00 N ATOM 848 CA GLU A 56 -23.444 -14.803 0.816 1.00 0.00 C ATOM 849 C GLU A 56 -23.302 -15.098 -0.674 1.00 0.00 C ATOM 850 O GLU A 56 -22.707 -16.103 -1.064 1.00 0.00 O ATOM 851 CB GLU A 56 -24.331 -15.866 1.471 1.00 0.00 C ATOM 852 CG GLU A 56 -24.355 -15.798 2.990 1.00 0.00 C ATOM 853 CD GLU A 56 -25.002 -14.529 3.511 1.00 0.00 C ATOM 854 OE1 GLU A 56 -26.249 -14.461 3.526 1.00 0.00 O ATOM 855 OE2 GLU A 56 -24.261 -13.602 3.902 1.00 0.00 O ATOM 0 H GLU A 56 -25.005 -13.404 0.883 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.455 -14.832 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -25.349 -15.757 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.983 -16.853 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -24.894 -16.662 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.335 -15.862 3.368 1.00 0.00 H new ATOM 862 N GLU A 57 -23.852 -14.215 -1.501 1.00 0.00 N ATOM 863 CA GLU A 57 -23.790 -14.380 -2.949 1.00 0.00 C ATOM 864 C GLU A 57 -22.381 -14.113 -3.473 1.00 0.00 C ATOM 865 O GLU A 57 -21.714 -13.173 -3.040 1.00 0.00 O ATOM 866 CB GLU A 57 -24.790 -13.444 -3.632 1.00 0.00 C ATOM 867 CG GLU A 57 -24.601 -11.981 -3.267 1.00 0.00 C ATOM 868 CD GLU A 57 -25.642 -11.081 -3.904 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.405 -10.605 -5.033 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.695 -10.853 -3.271 1.00 0.00 O ATOM 0 H GLU A 57 -24.346 -13.377 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 57 -24.050 -15.412 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.699 -13.555 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -25.802 -13.749 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.646 -11.872 -2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -23.608 -11.658 -3.579 1.00 0.00 H new ATOM 877 N ASN A 58 -21.934 -14.952 -4.405 1.00 0.00 N ATOM 878 CA ASN A 58 -20.606 -14.811 -4.993 1.00 0.00 C ATOM 879 C ASN A 58 -20.678 -14.061 -6.320 1.00 0.00 C ATOM 880 O ASN A 58 -21.293 -14.531 -7.278 1.00 0.00 O ATOM 881 CB ASN A 58 -19.971 -16.185 -5.205 1.00 0.00 C ATOM 882 CG ASN A 58 -18.559 -16.093 -5.749 1.00 0.00 C ATOM 883 OD1 ASN A 58 -18.349 -16.072 -6.962 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.580 -16.036 -4.852 1.00 0.00 N ATOM 0 H ASN A 58 -22.474 -15.737 -4.769 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.988 -14.236 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.958 -16.726 -4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.586 -16.764 -5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.610 -15.972 -5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.799 -16.056 -3.856 1.00 0.00 H new ATOM 891 N LYS A 59 -20.045 -12.894 -6.367 1.00 0.00 N ATOM 892 CA LYS A 59 -20.037 -12.074 -7.573 1.00 0.00 C ATOM 893 C LYS A 59 -18.644 -12.012 -8.191 1.00 0.00 C ATOM 894 O LYS A 59 -17.646 -11.883 -7.484 1.00 0.00 O ATOM 895 CB LYS A 59 -20.520 -10.661 -7.251 1.00 0.00 C ATOM 896 CG LYS A 59 -22.008 -10.575 -6.960 1.00 0.00 C ATOM 897 CD LYS A 59 -22.835 -10.758 -8.222 1.00 0.00 C ATOM 898 CE LYS A 59 -24.309 -10.502 -7.958 1.00 0.00 C ATOM 899 NZ LYS A 59 -25.130 -10.640 -9.194 1.00 0.00 N ATOM 0 H LYS A 59 -19.530 -12.494 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.712 -12.534 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.968 -10.286 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.285 -10.006 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.282 -11.338 -6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -22.237 -9.608 -6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.478 -10.077 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.702 -11.771 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.669 -11.202 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.435 -9.500 -7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -26.129 -10.457 -8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.804 -9.955 -9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -25.031 -11.604 -9.571 1.00 0.00 H new ATOM 913 N LEU A 60 -18.587 -12.107 -9.515 1.00 0.00 N ATOM 914 CA LEU A 60 -17.318 -12.051 -10.232 1.00 0.00 C ATOM 915 C LEU A 60 -16.853 -10.604 -10.395 1.00 0.00 C ATOM 916 O LEU A 60 -15.731 -10.351 -10.834 1.00 0.00 O ATOM 917 CB LEU A 60 -17.449 -12.719 -11.604 1.00 0.00 C ATOM 918 CG LEU A 60 -17.794 -14.212 -11.572 1.00 0.00 C ATOM 919 CD1 LEU A 60 -18.064 -14.726 -12.978 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.671 -15.008 -10.922 1.00 0.00 C ATOM 0 H LEU A 60 -19.405 -12.223 -10.114 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.573 -12.591 -9.648 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.218 -12.197 -12.173 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.511 -12.591 -12.144 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.697 -14.342 -10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.307 -15.788 -12.937 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.901 -14.178 -13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -17.177 -14.581 -13.595 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.935 -16.065 -10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.751 -14.871 -11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.521 -14.659 -9.900 1.00 0.00 H new ATOM 932 N ILE A 61 -17.724 -9.663 -10.038 1.00 0.00 N ATOM 933 CA ILE A 61 -17.415 -8.237 -10.148 1.00 0.00 C ATOM 934 C ILE A 61 -16.270 -7.842 -9.213 1.00 0.00 C ATOM 935 O ILE A 61 -15.695 -6.756 -9.337 1.00 0.00 O ATOM 936 CB ILE A 61 -18.659 -7.373 -9.833 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.394 -5.897 -10.145 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.074 -7.545 -8.379 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.183 -5.612 -11.616 1.00 0.00 C ATOM 0 H ILE A 61 -18.654 -9.862 -9.668 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.106 -8.054 -11.177 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.477 -7.712 -10.469 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.235 -5.303 -9.786 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.514 -5.571 -9.591 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.951 -6.930 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.313 -8.592 -8.190 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.256 -7.237 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.001 -4.547 -11.758 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.324 -6.178 -11.977 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.072 -5.906 -12.175 1.00 0.00 H new ATOM 951 N TYR A 62 -15.929 -8.733 -8.286 1.00 0.00 N ATOM 952 CA TYR A 62 -14.854 -8.470 -7.337 1.00 0.00 C ATOM 953 C TYR A 62 -13.488 -8.549 -8.009 1.00 0.00 C ATOM 954 O TYR A 62 -12.509 -8.000 -7.503 1.00 0.00 O ATOM 955 CB TYR A 62 -14.915 -9.453 -6.166 1.00 0.00 C ATOM 956 CG TYR A 62 -16.040 -9.174 -5.194 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.083 -7.986 -4.475 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.058 -10.098 -4.995 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.107 -7.727 -3.584 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.086 -9.847 -4.107 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.106 -8.661 -3.405 1.00 0.00 C ATOM 962 OH TYR A 62 -19.127 -8.407 -2.519 1.00 0.00 O ATOM 0 H TYR A 62 -16.381 -9.641 -8.173 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.992 -7.457 -6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.028 -10.464 -6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.967 -9.423 -5.629 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.303 -7.252 -4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.046 -11.028 -5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.125 -6.799 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.870 -10.576 -3.964 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.749 -9.164 -2.511 1.00 0.00 H new ATOM 972 N THR A 63 -13.421 -9.230 -9.150 1.00 0.00 N ATOM 973 CA THR A 63 -12.163 -9.368 -9.877 1.00 0.00 C ATOM 974 C THR A 63 -11.794 -8.069 -10.602 1.00 0.00 C ATOM 975 O THR A 63 -10.680 -7.570 -10.439 1.00 0.00 O ATOM 976 CB THR A 63 -12.202 -10.537 -10.883 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.465 -11.766 -10.195 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.887 -10.649 -11.641 1.00 0.00 C ATOM 0 H THR A 63 -14.218 -9.692 -9.589 1.00 0.00 H new ATOM 0 HA THR A 63 -11.396 -9.587 -9.134 1.00 0.00 H new ATOM 0 HB THR A 63 -13.000 -10.341 -11.600 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.490 -12.503 -10.840 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.942 -11.481 -12.343 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.702 -9.724 -12.187 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.074 -10.822 -10.936 1.00 0.00 H new ATOM 986 N PRO A 64 -12.711 -7.493 -11.414 1.00 0.00 N ATOM 987 CA PRO A 64 -12.440 -6.240 -12.128 1.00 0.00 C ATOM 988 C PRO A 64 -12.183 -5.084 -11.166 1.00 0.00 C ATOM 989 O PRO A 64 -11.274 -4.279 -11.378 1.00 0.00 O ATOM 990 CB PRO A 64 -13.718 -5.990 -12.940 1.00 0.00 C ATOM 991 CG PRO A 64 -14.398 -7.314 -13.003 1.00 0.00 C ATOM 992 CD PRO A 64 -14.059 -8.006 -11.717 1.00 0.00 C ATOM 0 HA PRO A 64 -11.546 -6.310 -12.747 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.351 -5.243 -12.460 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.486 -5.617 -13.938 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.476 -7.196 -13.111 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.053 -7.891 -13.861 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.771 -7.764 -10.928 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.063 -9.090 -11.828 1.00 0.00 H new ATOM 1000 N ILE A 65 -12.989 -5.004 -10.106 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.834 -3.947 -9.112 1.00 0.00 C ATOM 1002 C ILE A 65 -11.465 -4.032 -8.441 1.00 0.00 C ATOM 1003 O ILE A 65 -10.770 -3.026 -8.290 1.00 0.00 O ATOM 1004 CB ILE A 65 -13.934 -4.017 -8.032 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.309 -3.759 -8.654 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.657 -3.015 -6.918 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.459 -3.984 -7.696 1.00 0.00 C ATOM 0 H ILE A 65 -13.751 -5.655 -9.916 1.00 0.00 H new ATOM 0 HA ILE A 65 -12.923 -2.997 -9.639 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.930 -5.018 -7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.347 -2.733 -9.019 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.435 -4.410 -9.519 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.444 -3.080 -6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.695 -3.240 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.634 -2.007 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.401 -3.782 -8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.447 -5.018 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.358 -3.314 -6.842 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.086 -5.243 -8.040 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.800 -5.465 -7.389 1.00 0.00 C ATOM 1021 C PHE A 66 -8.656 -5.015 -8.291 1.00 0.00 C ATOM 1022 O PHE A 66 -7.686 -4.416 -7.826 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.638 -6.944 -7.029 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.351 -7.256 -6.320 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.196 -6.959 -4.976 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.296 -7.847 -6.999 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.012 -7.245 -4.320 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.112 -8.135 -6.349 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.969 -7.833 -5.008 1.00 0.00 C ATOM 0 H PHE A 66 -11.651 -6.084 -8.155 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.771 -4.874 -6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.473 -7.249 -6.398 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.694 -7.539 -7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.009 -6.499 -4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.401 -8.085 -8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.904 -7.009 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.298 -8.596 -6.889 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.043 -8.056 -4.499 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.777 -5.305 -9.582 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.755 -4.928 -10.551 1.00 0.00 C ATOM 1041 C ASN A 67 -7.620 -3.411 -10.630 1.00 0.00 C ATOM 1042 O ASN A 67 -6.534 -2.888 -10.879 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.094 -5.498 -11.928 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.212 -7.009 -11.914 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.556 -7.687 -11.123 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.052 -7.545 -12.791 1.00 0.00 N ATOM 0 H ASN A 67 -9.574 -5.801 -9.982 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.802 -5.343 -10.222 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.032 -5.066 -12.276 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.323 -5.203 -12.640 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.174 -8.557 -12.828 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.576 -6.945 -13.428 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.731 -2.710 -10.422 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.733 -1.252 -10.461 1.00 0.00 C ATOM 1055 C GLU A 68 -7.927 -0.684 -9.296 1.00 0.00 C ATOM 1056 O GLU A 68 -7.228 0.317 -9.442 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.166 -0.718 -10.414 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.260 0.794 -10.542 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.686 1.309 -11.848 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -10.388 1.231 -12.877 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -8.533 1.791 -11.841 1.00 0.00 O ATOM 0 H GLU A 68 -9.640 -3.128 -10.225 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.270 -0.935 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.742 -1.178 -11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.627 -1.024 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.304 1.097 -10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.731 1.258 -9.710 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.037 -1.330 -8.141 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.315 -0.902 -6.945 1.00 0.00 C ATOM 1070 C TYR A 69 -5.816 -1.147 -7.107 1.00 0.00 C ATOM 1071 O TYR A 69 -4.988 -0.336 -6.686 1.00 0.00 O ATOM 1072 CB TYR A 69 -7.841 -1.660 -5.724 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.337 -1.131 -4.397 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -6.169 -1.624 -3.827 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -8.035 -0.143 -3.713 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -5.712 -1.147 -2.613 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -7.582 0.340 -2.499 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.421 -0.165 -1.954 1.00 0.00 C ATOM 1079 OH TYR A 69 -5.968 0.313 -0.746 1.00 0.00 O ATOM 0 H TYR A 69 -8.621 -2.155 -8.006 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.477 0.166 -6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.930 -1.620 -5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.560 -2.709 -5.814 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.610 -2.392 -4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.946 0.254 -4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.804 -1.542 -2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.135 1.109 -1.980 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.582 1.002 -0.416 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.479 -2.273 -7.726 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.088 -2.645 -7.953 1.00 0.00 C ATOM 1091 C ILE A 70 -3.455 -1.804 -9.060 1.00 0.00 C ATOM 1092 O ILE A 70 -2.249 -1.570 -9.061 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.970 -4.139 -8.319 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.618 -5.007 -7.236 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.511 -4.529 -8.524 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.943 -4.909 -5.882 1.00 0.00 C ATOM 0 H ILE A 70 -6.156 -2.948 -8.082 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.553 -2.457 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.500 -4.308 -9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.664 -4.718 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.606 -6.047 -7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.450 -5.586 -8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.085 -3.934 -9.332 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.953 -4.346 -7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.460 -5.552 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.904 -5.227 -5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.979 -3.878 -5.531 1.00 0.00 H new ATOM 1108 N SER A 71 -4.271 -1.356 -10.005 1.00 0.00 N ATOM 1109 CA SER A 71 -3.776 -0.554 -11.116 1.00 0.00 C ATOM 1110 C SER A 71 -3.721 0.930 -10.758 1.00 0.00 C ATOM 1111 O SER A 71 -2.852 1.658 -11.237 1.00 0.00 O ATOM 1112 CB SER A 71 -4.660 -0.757 -12.345 1.00 0.00 C ATOM 1113 OG SER A 71 -6.000 -0.381 -12.075 1.00 0.00 O ATOM 0 H SER A 71 -5.275 -1.534 -10.025 1.00 0.00 H new ATOM 0 HA SER A 71 -2.761 -0.885 -11.337 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.274 -0.168 -13.177 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.627 -1.802 -12.653 1.00 0.00 H new ATOM 0 HG SER A 71 -6.110 -0.229 -11.113 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.658 1.378 -9.929 1.00 0.00 N ATOM 1120 CA LEU A 72 -4.717 2.784 -9.530 1.00 0.00 C ATOM 1121 C LEU A 72 -3.897 3.074 -8.273 1.00 0.00 C ATOM 1122 O LEU A 72 -2.944 3.852 -8.308 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.169 3.204 -9.297 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.362 4.670 -8.903 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.906 5.471 -10.074 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.283 4.782 -7.698 1.00 0.00 C ATOM 0 H LEU A 72 -5.386 0.792 -9.520 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.284 3.362 -10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.738 3.010 -10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.593 2.574 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.391 5.084 -8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.036 6.511 -9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.205 5.419 -10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.867 5.059 -10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.409 5.832 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.254 4.351 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.847 4.244 -6.856 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.275 2.441 -7.165 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.610 2.659 -5.881 1.00 0.00 C ATOM 1140 C VAL A 73 -2.169 2.155 -5.861 1.00 0.00 C ATOM 1141 O VAL A 73 -1.241 2.927 -5.623 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.386 1.986 -4.735 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.768 2.329 -3.389 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -5.851 2.390 -4.777 1.00 0.00 C ATOM 0 H VAL A 73 -5.042 1.770 -7.130 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.592 3.740 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.324 0.906 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.333 1.842 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.735 1.982 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.792 3.409 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.386 1.905 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.933 3.472 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.286 2.083 -5.728 1.00 0.00 H new ATOM 1154 N GLU A 74 -1.985 0.861 -6.098 1.00 0.00 N ATOM 1155 CA GLU A 74 -0.650 0.266 -6.081 1.00 0.00 C ATOM 1156 C GLU A 74 0.314 1.038 -6.979 1.00 0.00 C ATOM 1157 O GLU A 74 1.478 1.241 -6.627 1.00 0.00 O ATOM 1158 CB GLU A 74 -0.711 -1.197 -6.516 1.00 0.00 C ATOM 1159 CG GLU A 74 0.575 -1.966 -6.265 1.00 0.00 C ATOM 1160 CD GLU A 74 0.504 -3.394 -6.770 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.038 -4.254 -6.045 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.991 -3.652 -7.891 1.00 0.00 O ATOM 0 H GLU A 74 -2.738 0.205 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.278 0.318 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.527 -1.690 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.948 -1.241 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.403 -1.452 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.789 -1.972 -5.196 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.175 1.473 -8.137 1.00 0.00 N ATOM 1170 CA LYS A 75 0.651 2.224 -9.074 1.00 0.00 C ATOM 1171 C LYS A 75 0.817 3.668 -8.617 1.00 0.00 C ATOM 1172 O LYS A 75 1.785 4.334 -8.978 1.00 0.00 O ATOM 1173 CB LYS A 75 0.041 2.184 -10.476 1.00 0.00 C ATOM 1174 CG LYS A 75 0.170 0.832 -11.162 1.00 0.00 C ATOM 1175 CD LYS A 75 1.622 0.501 -11.472 1.00 0.00 C ATOM 1176 CE LYS A 75 1.749 -0.826 -12.204 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.266 -1.965 -11.374 1.00 0.00 N ATOM 0 H LYS A 75 -1.134 1.319 -8.447 1.00 0.00 H new ATOM 0 HA LYS A 75 1.635 1.757 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.014 2.449 -10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.523 2.942 -11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.253 0.057 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.409 0.835 -12.086 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.055 1.295 -12.080 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.193 0.462 -10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.179 -0.785 -13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.791 -0.992 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.537 -2.862 -11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.693 -1.910 -10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.230 -1.919 -11.290 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.134 4.150 -7.821 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.080 5.516 -7.312 1.00 0.00 C ATOM 1193 C TYR A 76 1.145 5.705 -6.423 1.00 0.00 C ATOM 1194 O TYR A 76 1.886 6.676 -6.566 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.355 5.846 -6.530 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.460 7.297 -6.114 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -0.932 7.735 -4.906 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -2.090 8.229 -6.930 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.028 9.060 -4.523 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -2.191 9.555 -6.553 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.659 9.965 -5.350 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.758 11.284 -4.972 1.00 0.00 O ATOM 0 H TYR A 76 -0.948 3.617 -7.516 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.004 6.196 -8.160 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.221 5.590 -7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.396 5.219 -5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.438 7.029 -4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.508 7.912 -7.874 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.611 9.384 -3.581 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.685 10.266 -7.198 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.230 11.789 -5.667 1.00 0.00 H new ATOM 1212 N ILE A 77 1.353 4.763 -5.506 1.00 0.00 N ATOM 1213 CA ILE A 77 2.491 4.820 -4.595 1.00 0.00 C ATOM 1214 C ILE A 77 3.795 4.534 -5.333 1.00 0.00 C ATOM 1215 O ILE A 77 4.805 5.202 -5.112 1.00 0.00 O ATOM 1216 CB ILE A 77 2.341 3.809 -3.440 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.995 3.999 -2.736 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.489 3.962 -2.451 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.696 2.929 -1.705 1.00 0.00 C ATOM 0 H ILE A 77 0.748 3.952 -5.375 1.00 0.00 H new ATOM 0 HA ILE A 77 2.517 5.829 -4.184 1.00 0.00 H new ATOM 0 HB ILE A 77 2.373 2.801 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.983 4.974 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.201 4.005 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.370 3.242 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.435 3.781 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.485 4.972 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.273 3.127 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.676 1.953 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.470 2.937 -0.937 1.00 0.00 H new ATOM 1231 N GLU A 78 3.764 3.534 -6.211 1.00 0.00 N ATOM 1232 CA GLU A 78 4.943 3.151 -6.980 1.00 0.00 C ATOM 1233 C GLU A 78 5.479 4.329 -7.791 1.00 0.00 C ATOM 1234 O GLU A 78 6.668 4.641 -7.735 1.00 0.00 O ATOM 1235 CB GLU A 78 4.609 1.984 -7.914 1.00 0.00 C ATOM 1236 CG GLU A 78 5.803 1.481 -8.711 1.00 0.00 C ATOM 1237 CD GLU A 78 5.432 0.373 -9.678 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.369 -0.797 -9.244 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.206 0.676 -10.868 1.00 0.00 O ATOM 0 H GLU A 78 2.934 2.975 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 78 5.716 2.840 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.204 1.162 -7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.826 2.296 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.241 2.311 -9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.567 1.118 -8.024 1.00 0.00 H new ATOM 1246 N GLU A 79 4.594 4.980 -8.538 1.00 0.00 N ATOM 1247 CA GLU A 79 4.977 6.119 -9.366 1.00 0.00 C ATOM 1248 C GLU A 79 5.551 7.253 -8.521 1.00 0.00 C ATOM 1249 O GLU A 79 6.569 7.845 -8.876 1.00 0.00 O ATOM 1250 CB GLU A 79 3.775 6.622 -10.166 1.00 0.00 C ATOM 1251 CG GLU A 79 3.316 5.652 -11.243 1.00 0.00 C ATOM 1252 CD GLU A 79 2.126 6.172 -12.023 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.979 5.910 -11.603 1.00 0.00 O ATOM 1254 OE2 GLU A 79 2.340 6.843 -13.055 1.00 0.00 O ATOM 0 H GLU A 79 3.604 4.738 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 79 5.752 5.783 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.947 6.812 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.030 7.574 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.140 5.460 -11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.056 4.699 -10.782 1.00 0.00 H new ATOM 1261 N GLN A 80 4.895 7.549 -7.402 1.00 0.00 N ATOM 1262 CA GLN A 80 5.345 8.617 -6.514 1.00 0.00 C ATOM 1263 C GLN A 80 6.768 8.362 -6.028 1.00 0.00 C ATOM 1264 O GLN A 80 7.549 9.297 -5.850 1.00 0.00 O ATOM 1265 CB GLN A 80 4.401 8.747 -5.317 1.00 0.00 C ATOM 1266 CG GLN A 80 3.059 9.374 -5.665 1.00 0.00 C ATOM 1267 CD GLN A 80 3.186 10.819 -6.106 1.00 0.00 C ATOM 1268 OE1 GLN A 80 4.079 11.542 -5.662 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.290 11.249 -6.989 1.00 0.00 N ATOM 0 H GLN A 80 4.053 7.066 -7.089 1.00 0.00 H new ATOM 0 HA GLN A 80 5.336 9.549 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.231 7.759 -4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.885 9.348 -4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.587 8.796 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.401 9.319 -4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.567 10.616 -7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.326 12.212 -7.325 1.00 0.00 H new ATOM 1278 N LEU A 81 7.099 7.093 -5.817 1.00 0.00 N ATOM 1279 CA LEU A 81 8.430 6.719 -5.355 1.00 0.00 C ATOM 1280 C LEU A 81 9.440 6.758 -6.499 1.00 0.00 C ATOM 1281 O LEU A 81 10.606 7.099 -6.296 1.00 0.00 O ATOM 1282 CB LEU A 81 8.404 5.325 -4.726 1.00 0.00 C ATOM 1283 CG LEU A 81 7.717 5.241 -3.360 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.554 3.790 -2.937 1.00 0.00 C ATOM 1285 CD2 LEU A 81 8.510 6.014 -2.316 1.00 0.00 C ATOM 0 H LEU A 81 6.465 6.307 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 81 8.739 7.443 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.900 4.644 -5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.430 4.971 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 81 6.727 5.690 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.064 3.747 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.947 3.263 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.534 3.318 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.007 5.943 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.512 5.593 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.580 7.060 -2.613 1.00 0.00 H new ATOM 1297 N LEU A 82 8.987 6.414 -7.702 1.00 0.00 N ATOM 1298 CA LEU A 82 9.857 6.405 -8.874 1.00 0.00 C ATOM 1299 C LEU A 82 10.288 7.819 -9.253 1.00 0.00 C ATOM 1300 O LEU A 82 11.357 8.014 -9.833 1.00 0.00 O ATOM 1301 CB LEU A 82 9.157 5.735 -10.060 1.00 0.00 C ATOM 1302 CG LEU A 82 8.898 4.234 -9.904 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.087 3.707 -11.077 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.211 3.472 -9.783 1.00 0.00 C ATOM 0 H LEU A 82 8.023 6.138 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 82 10.749 5.832 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.204 6.236 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.762 5.892 -10.953 1.00 0.00 H new ATOM 0 HG LEU A 82 8.325 4.080 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.913 2.639 -10.948 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.130 4.228 -11.121 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.635 3.876 -12.004 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.005 2.407 -9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.810 3.635 -10.679 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.759 3.828 -8.910 1.00 0.00 H new ATOM 1316 N GLN A 83 9.455 8.801 -8.925 1.00 0.00 N ATOM 1317 CA GLN A 83 9.762 10.192 -9.234 1.00 0.00 C ATOM 1318 C GLN A 83 11.012 10.649 -8.490 1.00 0.00 C ATOM 1319 O GLN A 83 11.716 11.555 -8.937 1.00 0.00 O ATOM 1320 CB GLN A 83 8.582 11.099 -8.872 1.00 0.00 C ATOM 1321 CG GLN A 83 7.351 10.875 -9.734 1.00 0.00 C ATOM 1322 CD GLN A 83 6.225 11.837 -9.409 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.383 11.560 -8.555 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.205 12.978 -10.089 1.00 0.00 N ATOM 0 H GLN A 83 8.565 8.660 -8.447 1.00 0.00 H new ATOM 0 HA GLN A 83 9.947 10.263 -10.306 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.317 10.936 -7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.894 12.139 -8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.623 10.983 -10.784 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.000 9.852 -9.599 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.923 13.167 -10.788 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.472 13.665 -9.912 1.00 0.00 H new ATOM 1333 N ARG A 84 11.288 10.011 -7.356 1.00 0.00 N ATOM 1334 CA ARG A 84 12.453 10.357 -6.550 1.00 0.00 C ATOM 1335 C ARG A 84 13.535 9.289 -6.673 1.00 0.00 C ATOM 1336 O ARG A 84 14.720 9.566 -6.480 1.00 0.00 O ATOM 1337 CB ARG A 84 12.051 10.532 -5.082 1.00 0.00 C ATOM 1338 CG ARG A 84 13.190 10.981 -4.177 1.00 0.00 C ATOM 1339 CD ARG A 84 13.573 12.433 -4.427 1.00 0.00 C ATOM 1340 NE ARG A 84 14.241 12.618 -5.713 1.00 0.00 N ATOM 1341 CZ ARG A 84 14.634 13.800 -6.177 1.00 0.00 C ATOM 1342 NH1 ARG A 84 14.433 14.898 -5.461 1.00 0.00 N ATOM 1343 NH2 ARG A 84 15.233 13.886 -7.356 1.00 0.00 N ATOM 0 H ARG A 84 10.721 9.253 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 84 12.856 11.299 -6.922 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.244 11.262 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.655 9.587 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.896 10.857 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.058 10.343 -4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.677 13.053 -4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.229 12.776 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 84 14.416 11.793 -6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.976 14.837 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.736 15.803 -5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 84 15.393 13.044 -7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.534 14.794 -7.710 1.00 0.00 H new ATOM 1357 N ILE A 85 13.119 8.069 -6.999 1.00 0.00 N ATOM 1358 CA ILE A 85 14.047 6.954 -7.150 1.00 0.00 C ATOM 1359 C ILE A 85 13.694 6.113 -8.377 1.00 0.00 C ATOM 1360 O ILE A 85 12.921 5.159 -8.280 1.00 0.00 O ATOM 1361 CB ILE A 85 14.047 6.049 -5.899 1.00 0.00 C ATOM 1362 CG1 ILE A 85 14.344 6.874 -4.644 1.00 0.00 C ATOM 1363 CG2 ILE A 85 15.064 4.927 -6.055 1.00 0.00 C ATOM 1364 CD1 ILE A 85 14.167 6.103 -3.352 1.00 0.00 C ATOM 0 H ILE A 85 12.142 7.827 -7.164 1.00 0.00 H new ATOM 0 HA ILE A 85 15.042 7.381 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 85 13.058 5.604 -5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.367 7.245 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.689 7.745 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.051 4.298 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.811 4.325 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 85 16.059 5.353 -6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 85 14.395 6.752 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.137 5.754 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.841 5.247 -3.344 1.00 0.00 H new ATOM 1376 N PRO A 86 14.246 6.465 -9.556 1.00 0.00 N ATOM 1377 CA PRO A 86 13.982 5.735 -10.804 1.00 0.00 C ATOM 1378 C PRO A 86 14.528 4.312 -10.777 1.00 0.00 C ATOM 1379 O PRO A 86 14.307 3.535 -11.706 1.00 0.00 O ATOM 1380 CB PRO A 86 14.704 6.560 -11.878 1.00 0.00 C ATOM 1381 CG PRO A 86 14.990 7.878 -11.240 1.00 0.00 C ATOM 1382 CD PRO A 86 15.153 7.601 -9.775 1.00 0.00 C ATOM 0 HA PRO A 86 12.912 5.628 -10.981 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.624 6.070 -12.197 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.082 6.680 -12.765 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.893 8.325 -11.656 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.176 8.582 -11.416 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.183 7.350 -9.523 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.877 8.462 -9.167 1.00 0.00 H new ATOM 1390 N GLU A 87 15.242 3.977 -9.709 1.00 0.00 N ATOM 1391 CA GLU A 87 15.820 2.646 -9.559 1.00 0.00 C ATOM 1392 C GLU A 87 15.101 1.864 -8.467 1.00 0.00 C ATOM 1393 O GLU A 87 15.593 0.839 -7.993 1.00 0.00 O ATOM 1394 CB GLU A 87 17.311 2.748 -9.231 1.00 0.00 C ATOM 1395 CG GLU A 87 18.123 3.462 -10.299 1.00 0.00 C ATOM 1396 CD GLU A 87 19.600 3.528 -9.962 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.337 2.593 -10.338 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.019 4.514 -9.319 1.00 0.00 O ATOM 0 H GLU A 87 15.435 4.610 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 87 15.699 2.115 -10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.431 3.274 -8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.713 1.744 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.994 2.949 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.738 4.474 -10.427 1.00 0.00 H new ATOM 1405 N PHE A 88 13.930 2.354 -8.075 1.00 0.00 N ATOM 1406 CA PHE A 88 13.137 1.711 -7.035 1.00 0.00 C ATOM 1407 C PHE A 88 12.328 0.545 -7.598 1.00 0.00 C ATOM 1408 O PHE A 88 11.876 0.583 -8.742 1.00 0.00 O ATOM 1409 CB PHE A 88 12.199 2.729 -6.383 1.00 0.00 C ATOM 1410 CG PHE A 88 11.424 2.177 -5.221 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.995 2.115 -3.960 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.127 1.721 -5.389 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.285 1.608 -2.888 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.413 1.212 -4.322 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.992 1.156 -3.070 1.00 0.00 C ATOM 0 H PHE A 88 13.508 3.197 -8.464 1.00 0.00 H new ATOM 0 HA PHE A 88 13.822 1.319 -6.284 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.784 3.584 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.499 3.098 -7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.006 2.467 -3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.669 1.764 -6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.740 1.565 -1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.403 0.858 -4.467 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.435 0.759 -2.234 1.00 0.00 H new ATOM 1425 N ASN A 89 12.155 -0.490 -6.781 1.00 0.00 N ATOM 1426 CA ASN A 89 11.395 -1.669 -7.182 1.00 0.00 C ATOM 1427 C ASN A 89 10.281 -1.953 -6.180 1.00 0.00 C ATOM 1428 O ASN A 89 10.515 -2.552 -5.130 1.00 0.00 O ATOM 1429 CB ASN A 89 12.316 -2.885 -7.297 1.00 0.00 C ATOM 1430 CG ASN A 89 13.384 -2.708 -8.361 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.501 -3.205 -8.221 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.043 -2.004 -9.435 1.00 0.00 N ATOM 0 H ASN A 89 12.532 -0.536 -5.834 1.00 0.00 H new ATOM 0 HA ASN A 89 10.948 -1.472 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.794 -3.067 -6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.720 -3.767 -7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.719 -1.858 -10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.105 -1.610 -9.510 1.00 0.00 H new ATOM 1439 N MET A 90 9.070 -1.514 -6.508 1.00 0.00 N ATOM 1440 CA MET A 90 7.920 -1.715 -5.633 1.00 0.00 C ATOM 1441 C MET A 90 7.614 -3.201 -5.464 1.00 0.00 C ATOM 1442 O MET A 90 7.036 -3.613 -4.459 1.00 0.00 O ATOM 1443 CB MET A 90 6.695 -0.989 -6.193 1.00 0.00 C ATOM 1444 CG MET A 90 5.506 -0.977 -5.247 1.00 0.00 C ATOM 1445 SD MET A 90 5.862 -0.127 -3.696 1.00 0.00 S ATOM 1446 CE MET A 90 4.275 -0.240 -2.874 1.00 0.00 C ATOM 0 H MET A 90 8.859 -1.017 -7.373 1.00 0.00 H new ATOM 0 HA MET A 90 8.164 -1.302 -4.654 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.970 0.039 -6.430 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.399 -1.463 -7.129 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.661 -0.493 -5.737 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.205 -2.003 -5.034 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.413 -0.128 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.619 0.550 -3.239 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.825 -1.211 -3.083 1.00 0.00 H new ATOM 1456 N ALA A 91 8.007 -3.999 -6.449 1.00 0.00 N ATOM 1457 CA ALA A 91 7.772 -5.437 -6.406 1.00 0.00 C ATOM 1458 C ALA A 91 8.612 -6.099 -5.320 1.00 0.00 C ATOM 1459 O ALA A 91 8.088 -6.808 -4.458 1.00 0.00 O ATOM 1460 CB ALA A 91 8.071 -6.062 -7.761 1.00 0.00 C ATOM 0 H ALA A 91 8.490 -3.675 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 91 6.721 -5.601 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.891 -7.136 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.423 -5.618 -8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.113 -5.880 -8.024 1.00 0.00 H new ATOM 1466 N ALA A 92 9.918 -5.862 -5.364 1.00 0.00 N ATOM 1467 CA ALA A 92 10.834 -6.434 -4.387 1.00 0.00 C ATOM 1468 C ALA A 92 10.654 -5.786 -3.017 1.00 0.00 C ATOM 1469 O ALA A 92 10.917 -6.408 -1.987 1.00 0.00 O ATOM 1470 CB ALA A 92 12.271 -6.282 -4.861 1.00 0.00 C ATOM 0 H ALA A 92 10.366 -5.276 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 92 10.605 -7.495 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.946 -6.714 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.397 -6.799 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.502 -5.224 -4.989 1.00 0.00 H new ATOM 1476 N PHE A 93 10.203 -4.536 -3.012 1.00 0.00 N ATOM 1477 CA PHE A 93 9.996 -3.803 -1.768 1.00 0.00 C ATOM 1478 C PHE A 93 8.813 -4.368 -0.987 1.00 0.00 C ATOM 1479 O PHE A 93 8.904 -4.578 0.222 1.00 0.00 O ATOM 1480 CB PHE A 93 9.770 -2.316 -2.054 1.00 0.00 C ATOM 1481 CG PHE A 93 9.519 -1.500 -0.817 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.556 -1.193 0.050 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.245 -1.042 -0.521 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.326 -0.444 1.189 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.010 -0.294 0.616 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.052 0.005 1.473 1.00 0.00 C ATOM 0 H PHE A 93 9.974 -4.009 -3.855 1.00 0.00 H new ATOM 0 HA PHE A 93 10.894 -3.916 -1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.642 -1.917 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.921 -2.209 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.555 -1.543 -0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.427 -1.273 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.143 -0.210 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.012 0.057 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.870 0.589 2.363 1.00 0.00 H new ATOM 1496 N THR A 94 7.706 -4.608 -1.681 1.00 0.00 N ATOM 1497 CA THR A 94 6.510 -5.148 -1.045 1.00 0.00 C ATOM 1498 C THR A 94 6.763 -6.552 -0.508 1.00 0.00 C ATOM 1499 O THR A 94 6.337 -6.890 0.596 1.00 0.00 O ATOM 1500 CB THR A 94 5.320 -5.190 -2.021 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.703 -5.844 -3.235 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.823 -3.785 -2.328 1.00 0.00 C ATOM 0 H THR A 94 7.612 -4.438 -2.682 1.00 0.00 H new ATOM 0 HA THR A 94 6.264 -4.482 -0.218 1.00 0.00 H new ATOM 0 HB THR A 94 4.512 -5.749 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.175 -5.209 -3.814 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.982 -3.839 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.503 -3.302 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.628 -3.205 -2.780 1.00 0.00 H new ATOM 1510 N THR A 95 7.462 -7.364 -1.295 1.00 0.00 N ATOM 1511 CA THR A 95 7.772 -8.732 -0.897 1.00 0.00 C ATOM 1512 C THR A 95 8.576 -8.759 0.401 1.00 0.00 C ATOM 1513 O THR A 95 8.335 -9.594 1.274 1.00 0.00 O ATOM 1514 CB THR A 95 8.563 -9.467 -1.995 1.00 0.00 C ATOM 1515 OG1 THR A 95 7.849 -9.408 -3.235 1.00 0.00 O ATOM 1516 CG2 THR A 95 8.804 -10.921 -1.616 1.00 0.00 C ATOM 0 H THR A 95 7.824 -7.098 -2.211 1.00 0.00 H new ATOM 0 HA THR A 95 6.821 -9.241 -0.741 1.00 0.00 H new ATOM 0 HB THR A 95 9.528 -8.973 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.946 -8.515 -3.626 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.364 -11.416 -2.409 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.373 -10.965 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.847 -11.425 -1.479 1.00 0.00 H new ATOM 1524 N THR A 96 9.528 -7.839 0.522 1.00 0.00 N ATOM 1525 CA THR A 96 10.371 -7.760 1.712 1.00 0.00 C ATOM 1526 C THR A 96 9.622 -7.130 2.884 1.00 0.00 C ATOM 1527 O THR A 96 9.841 -7.494 4.040 1.00 0.00 O ATOM 1528 CB THR A 96 11.648 -6.942 1.434 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.362 -7.507 0.329 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.549 -6.906 2.658 1.00 0.00 C ATOM 0 H THR A 96 9.736 -7.138 -0.189 1.00 0.00 H new ATOM 0 HA THR A 96 10.646 -8.782 1.974 1.00 0.00 H new ATOM 0 HB THR A 96 11.350 -5.922 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.958 -7.204 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.442 -6.323 2.435 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.015 -6.447 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.837 -7.922 2.928 1.00 0.00 H new ATOM 1538 N LEU A 97 8.740 -6.186 2.576 1.00 0.00 N ATOM 1539 CA LEU A 97 7.959 -5.494 3.598 1.00 0.00 C ATOM 1540 C LEU A 97 7.088 -6.470 4.385 1.00 0.00 C ATOM 1541 O LEU A 97 6.895 -6.306 5.590 1.00 0.00 O ATOM 1542 CB LEU A 97 7.086 -4.410 2.959 1.00 0.00 C ATOM 1543 CG LEU A 97 6.986 -3.099 3.749 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.157 -2.080 2.985 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.388 -3.343 5.128 1.00 0.00 C ATOM 0 H LEU A 97 8.546 -5.880 1.622 1.00 0.00 H new ATOM 0 HA LEU A 97 8.658 -5.027 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.479 -4.188 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.081 -4.810 2.822 1.00 0.00 H new ATOM 0 HG LEU A 97 7.993 -2.702 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.096 -1.156 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.626 -1.878 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.153 -2.474 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.327 -2.399 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.389 -3.766 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.020 -4.039 5.681 1.00 0.00 H new ATOM 1557 N GLN A 98 6.563 -7.481 3.697 1.00 0.00 N ATOM 1558 CA GLN A 98 5.702 -8.477 4.331 1.00 0.00 C ATOM 1559 C GLN A 98 6.346 -9.046 5.590 1.00 0.00 C ATOM 1560 O GLN A 98 5.652 -9.443 6.527 1.00 0.00 O ATOM 1561 CB GLN A 98 5.393 -9.614 3.354 1.00 0.00 C ATOM 1562 CG GLN A 98 4.573 -9.184 2.149 1.00 0.00 C ATOM 1563 CD GLN A 98 3.171 -8.732 2.516 1.00 0.00 C ATOM 1564 OE1 GLN A 98 2.588 -7.879 1.848 1.00 0.00 O ATOM 1565 NE2 GLN A 98 2.619 -9.304 3.582 1.00 0.00 N ATOM 0 H GLN A 98 6.719 -7.632 2.700 1.00 0.00 H new ATOM 0 HA GLN A 98 4.774 -7.979 4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.331 -10.047 3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.856 -10.400 3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.088 -8.371 1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.509 -10.014 1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.137 -10.008 4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.678 -9.039 3.873 1.00 0.00 H new ATOM 1574 N HIS A 99 7.672 -9.086 5.609 1.00 0.00 N ATOM 1575 CA HIS A 99 8.404 -9.602 6.758 1.00 0.00 C ATOM 1576 C HIS A 99 8.911 -8.460 7.630 1.00 0.00 C ATOM 1577 O HIS A 99 8.972 -8.575 8.855 1.00 0.00 O ATOM 1578 CB HIS A 99 9.574 -10.470 6.295 1.00 0.00 C ATOM 1579 CG HIS A 99 9.148 -11.668 5.503 1.00 0.00 C ATOM 1580 ND1 HIS A 99 9.116 -12.943 6.026 1.00 0.00 N ATOM 1581 CD2 HIS A 99 8.729 -11.779 4.219 1.00 0.00 C ATOM 1582 CE1 HIS A 99 8.696 -13.787 5.100 1.00 0.00 C ATOM 1583 NE2 HIS A 99 8.455 -13.106 3.995 1.00 0.00 N ATOM 0 H HIS A 99 8.263 -8.767 4.841 1.00 0.00 H new ATOM 0 HA HIS A 99 7.724 -10.214 7.351 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.249 -9.865 5.690 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.138 -10.802 7.167 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.629 -10.974 3.505 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.571 -14.852 5.226 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.119 -13.502 3.117 1.00 0.00 H new ATOM 1592 N HIS A 100 9.258 -7.348 6.989 1.00 0.00 N ATOM 1593 CA HIS A 100 9.766 -6.183 7.703 1.00 0.00 C ATOM 1594 C HIS A 100 8.661 -5.508 8.507 1.00 0.00 C ATOM 1595 O HIS A 100 8.908 -4.537 9.222 1.00 0.00 O ATOM 1596 CB HIS A 100 10.391 -5.187 6.724 1.00 0.00 C ATOM 1597 CG HIS A 100 11.801 -5.525 6.349 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.780 -4.571 6.162 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.397 -6.722 6.129 1.00 0.00 C ATOM 1600 CE1 HIS A 100 13.916 -5.165 5.846 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.711 -6.469 5.819 1.00 0.00 N ATOM 0 H HIS A 100 9.197 -7.230 5.978 1.00 0.00 H new ATOM 0 HA HIS A 100 10.534 -6.523 8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.783 -5.147 5.821 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.370 -4.191 7.167 1.00 0.00 H new ATOM 0 HD1 HIS A 100 12.647 -3.564 6.254 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.927 -7.693 6.187 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.854 -4.669 5.644 1.00 0.00 H new ATOM 1610 N LYS A 101 7.443 -6.027 8.388 1.00 0.00 N ATOM 1611 CA LYS A 101 6.307 -5.474 9.112 1.00 0.00 C ATOM 1612 C LYS A 101 6.478 -5.679 10.613 1.00 0.00 C ATOM 1613 O LYS A 101 5.839 -5.004 11.419 1.00 0.00 O ATOM 1614 CB LYS A 101 5.000 -6.117 8.640 1.00 0.00 C ATOM 1615 CG LYS A 101 4.881 -7.595 8.985 1.00 0.00 C ATOM 1616 CD LYS A 101 3.571 -8.184 8.485 1.00 0.00 C ATOM 1617 CE LYS A 101 2.370 -7.547 9.169 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.082 -8.081 8.646 1.00 0.00 N ATOM 0 H LYS A 101 7.219 -6.828 7.798 1.00 0.00 H new ATOM 0 HA LYS A 101 6.263 -4.404 8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.161 -5.581 9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.917 -5.998 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.717 -8.140 8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.949 -7.724 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.495 -8.040 7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.564 -9.259 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.427 -7.726 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.401 -6.467 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.290 -7.621 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.015 -7.888 7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.041 -9.108 8.808 1.00 0.00 H new ATOM 1632 N ASP A 102 7.347 -6.617 10.980 1.00 0.00 N ATOM 1633 CA ASP A 102 7.603 -6.912 12.385 1.00 0.00 C ATOM 1634 C ASP A 102 8.465 -5.826 13.025 1.00 0.00 C ATOM 1635 O ASP A 102 8.565 -5.740 14.250 1.00 0.00 O ATOM 1636 CB ASP A 102 8.286 -8.274 12.527 1.00 0.00 C ATOM 1637 CG ASP A 102 7.413 -9.412 12.032 1.00 0.00 C ATOM 1638 OD1 ASP A 102 6.621 -9.947 12.838 1.00 0.00 O ATOM 1639 OD2 ASP A 102 7.520 -9.769 10.840 1.00 0.00 O ATOM 0 H ASP A 102 7.884 -7.184 10.325 1.00 0.00 H new ATOM 0 HA ASP A 102 6.644 -6.939 12.903 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.222 -8.268 11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.540 -8.443 13.573 1.00 0.00 H new ATOM 1644 N GLU A 103 9.086 -4.999 12.188 1.00 0.00 N ATOM 1645 CA GLU A 103 9.936 -3.915 12.673 1.00 0.00 C ATOM 1646 C GLU A 103 9.249 -2.566 12.489 1.00 0.00 C ATOM 1647 O GLU A 103 9.054 -1.821 13.449 1.00 0.00 O ATOM 1648 CB GLU A 103 11.279 -3.923 11.938 1.00 0.00 C ATOM 1649 CG GLU A 103 12.247 -2.858 12.430 1.00 0.00 C ATOM 1650 CD GLU A 103 13.585 -2.911 11.721 1.00 0.00 C ATOM 1651 OE1 GLU A 103 14.485 -3.631 12.202 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.734 -2.230 10.685 1.00 0.00 O ATOM 0 H GLU A 103 9.017 -5.058 11.172 1.00 0.00 H new ATOM 0 HA GLU A 103 10.113 -4.071 13.737 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.741 -4.903 12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.102 -3.777 10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.802 -1.874 12.285 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.403 -2.982 13.502 1.00 0.00 H new ATOM 1659 N VAL A 104 8.889 -2.257 11.246 1.00 0.00 N ATOM 1660 CA VAL A 104 8.220 -1.000 10.933 1.00 0.00 C ATOM 1661 C VAL A 104 6.829 -0.955 11.559 1.00 0.00 C ATOM 1662 O VAL A 104 6.259 -1.994 11.896 1.00 0.00 O ATOM 1663 CB VAL A 104 8.101 -0.795 9.408 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.135 -1.802 8.802 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.674 0.628 9.086 1.00 0.00 C ATOM 0 H VAL A 104 9.050 -2.861 10.440 1.00 0.00 H new ATOM 0 HA VAL A 104 8.828 -0.197 11.350 1.00 0.00 H new ATOM 0 HB VAL A 104 9.083 -0.960 8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.067 -1.639 7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.495 -2.813 8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.150 -1.677 9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.597 0.749 8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.706 0.830 9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.413 1.327 9.477 1.00 0.00 H new ATOM 1675 N ALA A 105 6.290 0.251 11.716 1.00 0.00 N ATOM 1676 CA ALA A 105 4.968 0.429 12.302 1.00 0.00 C ATOM 1677 C ALA A 105 3.932 -0.444 11.601 1.00 0.00 C ATOM 1678 O ALA A 105 3.567 -0.192 10.452 1.00 0.00 O ATOM 1679 CB ALA A 105 4.557 1.891 12.245 1.00 0.00 C ATOM 0 H ALA A 105 6.751 1.120 11.445 1.00 0.00 H new ATOM 0 HA ALA A 105 5.017 0.119 13.346 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.567 2.008 12.686 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.276 2.493 12.801 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.533 2.222 11.207 1.00 0.00 H new ATOM 1685 N GLY A 106 3.463 -1.472 12.302 1.00 0.00 N ATOM 1686 CA GLY A 106 2.476 -2.371 11.737 1.00 0.00 C ATOM 1687 C GLY A 106 1.153 -1.684 11.463 1.00 0.00 C ATOM 1688 O GLY A 106 0.432 -2.059 10.539 1.00 0.00 O ATOM 0 H GLY A 106 3.751 -1.698 13.254 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.862 -2.792 10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.314 -3.204 12.421 1.00 0.00 H new ATOM 1692 N ASP A 107 0.835 -0.676 12.269 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.414 0.064 12.119 1.00 0.00 C ATOM 1694 C ASP A 107 -0.467 0.814 10.791 1.00 0.00 C ATOM 1695 O ASP A 107 -1.522 0.903 10.164 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.586 1.050 13.275 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.674 0.356 14.619 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -1.744 -0.210 14.925 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.327 0.380 15.366 1.00 0.00 O ATOM 0 H ASP A 107 1.426 -0.352 13.034 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.229 -0.660 12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.253 1.746 13.283 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.488 1.640 13.114 1.00 0.00 H new ATOM 1704 N ILE A 108 0.672 1.351 10.366 1.00 0.00 N ATOM 1705 CA ILE A 108 0.737 2.098 9.115 1.00 0.00 C ATOM 1706 C ILE A 108 0.684 1.162 7.911 1.00 0.00 C ATOM 1707 O ILE A 108 -0.105 1.369 6.988 1.00 0.00 O ATOM 1708 CB ILE A 108 2.019 2.951 9.030 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.128 3.871 10.251 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.028 3.763 7.742 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.414 4.670 10.298 1.00 0.00 C ATOM 0 H ILE A 108 1.558 1.284 10.866 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.130 2.758 9.099 1.00 0.00 H new ATOM 0 HB ILE A 108 2.883 2.286 9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.283 4.559 10.253 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.051 3.269 11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.938 4.360 7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.992 3.089 6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.160 4.422 7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.420 5.298 11.189 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.265 3.989 10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.484 5.299 9.411 1.00 0.00 H new ATOM 1723 N PHE A 109 1.522 0.130 7.929 1.00 0.00 N ATOM 1724 CA PHE A 109 1.563 -0.830 6.835 1.00 0.00 C ATOM 1725 C PHE A 109 0.250 -1.596 6.728 1.00 0.00 C ATOM 1726 O PHE A 109 -0.134 -2.024 5.643 1.00 0.00 O ATOM 1727 CB PHE A 109 2.727 -1.810 7.002 1.00 0.00 C ATOM 1728 CG PHE A 109 2.798 -2.836 5.904 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.760 -2.450 4.572 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.892 -4.186 6.202 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.816 -3.389 3.559 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.947 -5.130 5.193 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.909 -4.731 3.871 1.00 0.00 C ATOM 0 H PHE A 109 2.178 -0.061 8.686 1.00 0.00 H new ATOM 0 HA PHE A 109 1.714 -0.267 5.914 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.663 -1.252 7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.631 -2.319 7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.686 -1.402 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.923 -4.504 7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.787 -3.074 2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.020 -6.179 5.439 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.952 -5.468 3.082 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.436 -1.760 7.858 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.705 -2.487 7.889 1.00 0.00 C ATOM 1745 C ASP A 110 -2.637 -2.007 6.781 1.00 0.00 C ATOM 1746 O ASP A 110 -3.459 -2.770 6.275 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.382 -2.307 9.248 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.688 -3.070 9.354 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.741 -2.494 9.007 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.659 -4.242 9.784 1.00 0.00 O ATOM 0 H ASP A 110 -0.135 -1.400 8.764 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.493 -3.544 7.728 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.705 -2.642 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.570 -1.247 9.419 1.00 0.00 H new ATOM 1755 N MET A 111 -2.503 -0.738 6.408 1.00 0.00 N ATOM 1756 CA MET A 111 -3.322 -0.170 5.346 1.00 0.00 C ATOM 1757 C MET A 111 -2.878 -0.720 3.995 1.00 0.00 C ATOM 1758 O MET A 111 -3.688 -1.219 3.212 1.00 0.00 O ATOM 1759 CB MET A 111 -3.214 1.356 5.352 1.00 0.00 C ATOM 1760 CG MET A 111 -4.053 2.029 4.277 1.00 0.00 C ATOM 1761 SD MET A 111 -3.711 3.793 4.130 1.00 0.00 S ATOM 1762 CE MET A 111 -1.977 3.769 3.679 1.00 0.00 C ATOM 0 H MET A 111 -1.837 -0.087 6.824 1.00 0.00 H new ATOM 0 HA MET A 111 -4.362 -0.448 5.518 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.522 1.730 6.329 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.170 1.639 5.217 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.864 1.545 3.319 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.109 1.886 4.504 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.791 4.518 2.909 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.370 3.992 4.556 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.714 2.783 3.297 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.576 -0.633 3.740 1.00 0.00 N ATOM 1773 CA LEU A 112 -0.998 -1.114 2.492 1.00 0.00 C ATOM 1774 C LEU A 112 -1.099 -2.631 2.401 1.00 0.00 C ATOM 1775 O LEU A 112 -1.080 -3.200 1.311 1.00 0.00 O ATOM 1776 CB LEU A 112 0.463 -0.675 2.386 1.00 0.00 C ATOM 1777 CG LEU A 112 0.700 0.831 2.537 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.188 1.140 2.540 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.000 1.595 1.425 1.00 0.00 C ATOM 0 H LEU A 112 -0.898 -0.231 4.387 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.559 -0.682 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.040 -1.197 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.853 -0.994 1.419 1.00 0.00 H new ATOM 0 HG LEU A 112 0.281 1.150 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.336 2.214 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.665 0.622 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.631 0.805 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.179 2.663 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.389 1.271 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.072 1.400 1.468 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.213 -3.276 3.556 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.312 -4.729 3.626 1.00 0.00 C ATOM 1793 C LEU A 113 -2.401 -5.245 2.693 1.00 0.00 C ATOM 1794 O LEU A 113 -2.339 -6.380 2.220 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.596 -5.172 5.065 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.705 -6.684 5.272 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.390 -7.370 4.933 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.119 -6.999 6.702 1.00 0.00 C ATOM 0 H LEU A 113 -1.239 -2.811 4.464 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.359 -5.151 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.804 -4.790 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.526 -4.708 5.394 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.473 -7.066 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.490 -8.444 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.136 -7.175 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.399 -6.983 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.191 -8.079 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.375 -6.601 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.087 -6.543 6.909 1.00 0.00 H new ATOM 1810 N THR A 114 -3.401 -4.406 2.436 1.00 0.00 N ATOM 1811 CA THR A 114 -4.508 -4.772 1.559 1.00 0.00 C ATOM 1812 C THR A 114 -4.034 -5.085 0.138 1.00 0.00 C ATOM 1813 O THR A 114 -4.848 -5.366 -0.742 1.00 0.00 O ATOM 1814 CB THR A 114 -5.566 -3.656 1.496 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.984 -2.453 0.984 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.155 -3.394 2.874 1.00 0.00 C ATOM 0 H THR A 114 -3.467 -3.465 2.824 1.00 0.00 H new ATOM 0 HA THR A 114 -4.952 -5.670 1.988 1.00 0.00 H new ATOM 0 HB THR A 114 -6.365 -3.981 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.522 -1.980 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.901 -2.602 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.625 -4.304 3.248 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.362 -3.089 3.557 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.722 -5.033 -0.086 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.165 -5.328 -1.402 1.00 0.00 C ATOM 1826 C PHE A 115 -2.423 -6.782 -1.780 1.00 0.00 C ATOM 1827 O PHE A 115 -2.548 -7.114 -2.958 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.655 -5.053 -1.431 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.289 -3.613 -1.685 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.936 -2.878 -2.668 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.708 -2.997 -0.941 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.598 -1.559 -2.903 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.049 -1.678 -1.173 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.396 -0.959 -2.156 1.00 0.00 C ATOM 0 H PHE A 115 -2.030 -4.791 0.623 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.657 -4.677 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.223 -5.362 -0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.200 -5.673 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.713 -3.342 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.223 -3.555 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.111 -0.998 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.825 -1.209 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.663 0.071 -2.340 1.00 0.00 H new ATOM 1844 N THR A 116 -2.505 -7.644 -0.770 1.00 0.00 N ATOM 1845 CA THR A 116 -2.747 -9.064 -0.997 1.00 0.00 C ATOM 1846 C THR A 116 -3.702 -9.639 0.045 1.00 0.00 C ATOM 1847 O THR A 116 -4.434 -10.590 -0.230 1.00 0.00 O ATOM 1848 CB THR A 116 -1.433 -9.869 -0.965 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.795 -9.712 0.308 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.492 -9.414 -2.070 1.00 0.00 C ATOM 0 H THR A 116 -2.408 -7.384 0.211 1.00 0.00 H new ATOM 0 HA THR A 116 -3.199 -9.150 -1.985 1.00 0.00 H new ATOM 0 HB THR A 116 -1.672 -10.920 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.038 -10.227 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.428 -9.997 -2.027 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.970 -9.561 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.259 -8.357 -1.937 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.688 -9.061 1.240 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.552 -9.523 2.322 1.00 0.00 C ATOM 1860 C ASP A 117 -6.009 -9.155 2.051 1.00 0.00 C ATOM 1861 O ASP A 117 -6.493 -8.115 2.500 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.099 -8.926 3.655 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.652 -9.684 4.845 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -3.988 -10.639 5.302 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.747 -9.323 5.323 1.00 0.00 O ATOM 0 H ASP A 117 -3.089 -8.273 1.485 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.476 -10.609 2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.010 -8.929 3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.417 -7.885 3.711 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.702 -10.016 1.311 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.102 -9.786 0.971 1.00 0.00 C ATOM 1872 C PHE A 118 -8.968 -9.689 2.224 1.00 0.00 C ATOM 1873 O PHE A 118 -9.998 -9.015 2.226 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.615 -10.909 0.067 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.042 -10.728 -0.369 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.358 -9.879 -1.417 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.067 -11.407 0.271 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.669 -9.710 -1.820 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.380 -11.241 -0.128 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.681 -10.392 -1.175 1.00 0.00 C ATOM 0 H PHE A 118 -6.315 -10.882 0.935 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.167 -8.836 0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.979 -10.972 -0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.523 -11.859 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.570 -9.343 -1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.837 -12.073 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.901 -9.045 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.170 -11.775 0.379 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.706 -10.262 -1.488 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.547 -10.367 3.287 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.289 -10.352 4.543 1.00 0.00 C ATOM 1892 C LEU A 119 -9.345 -8.943 5.122 1.00 0.00 C ATOM 1893 O LEU A 119 -10.369 -8.524 5.664 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.646 -11.306 5.554 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.488 -11.593 6.800 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.760 -12.338 6.426 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.683 -12.389 7.818 1.00 0.00 C ATOM 0 H LEU A 119 -7.698 -10.932 3.304 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.307 -10.684 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.431 -12.250 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.690 -10.887 5.869 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.768 -10.641 7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.345 -12.533 7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.347 -11.732 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.501 -13.284 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.298 -12.583 8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.372 -13.336 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.802 -11.819 8.111 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.239 -8.215 5.001 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.157 -6.852 5.512 1.00 0.00 C ATOM 1911 C ALA A 120 -8.888 -5.879 4.593 1.00 0.00 C ATOM 1912 O ALA A 120 -9.429 -4.869 5.043 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.703 -6.435 5.675 1.00 0.00 C ATOM 0 H ALA A 120 -7.386 -8.548 4.552 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.642 -6.826 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.658 -5.415 6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.208 -7.107 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.200 -6.483 4.709 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.895 -6.193 3.303 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.551 -5.352 2.307 1.00 0.00 C ATOM 1921 C PHE A 121 -11.057 -5.293 2.559 1.00 0.00 C ATOM 1922 O PHE A 121 -11.636 -4.210 2.688 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.266 -5.899 0.904 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.430 -4.892 -0.204 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.860 -3.631 -0.109 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.144 -5.213 -1.348 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.002 -2.711 -1.130 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.289 -4.298 -2.374 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.716 -3.045 -2.264 1.00 0.00 C ATOM 0 H PHE A 121 -8.452 -7.028 2.920 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.155 -4.339 2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.247 -6.286 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.931 -6.741 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.298 -3.365 0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.593 -6.191 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.555 -1.732 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.849 -4.562 -3.259 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.827 -2.328 -3.064 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.683 -6.463 2.638 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.119 -6.550 2.878 1.00 0.00 C ATOM 1941 C LYS A 122 -13.474 -5.988 4.252 1.00 0.00 C ATOM 1942 O LYS A 122 -14.436 -5.234 4.396 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.587 -8.003 2.772 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.074 -8.186 3.035 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.479 -9.649 2.950 1.00 0.00 C ATOM 1946 CE LYS A 122 -16.952 -9.839 3.277 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.353 -11.272 3.230 1.00 0.00 N ATOM 0 H LYS A 122 -11.217 -7.365 2.539 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.627 -5.956 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.354 -8.379 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.024 -8.610 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.321 -7.796 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.647 -7.606 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.276 -10.026 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.873 -10.236 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.158 -9.437 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.557 -9.270 2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.364 -11.357 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.181 -11.650 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.795 -11.812 3.922 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.688 -6.360 5.257 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.917 -5.900 6.622 1.00 0.00 C ATOM 1963 C GLU A 123 -12.814 -4.380 6.714 1.00 0.00 C ATOM 1964 O GLU A 123 -13.495 -3.751 7.524 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.910 -6.551 7.572 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.103 -6.162 9.029 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.044 -6.756 9.936 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.206 -7.922 10.354 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -10.053 -6.055 10.229 1.00 0.00 O ATOM 0 H GLU A 123 -11.885 -6.980 5.151 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.926 -6.191 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.987 -7.635 7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.902 -6.276 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.084 -5.076 9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.087 -6.491 9.362 1.00 0.00 H new ATOM 1976 N MET A 124 -11.961 -3.796 5.877 1.00 0.00 N ATOM 1977 CA MET A 124 -11.769 -2.351 5.871 1.00 0.00 C ATOM 1978 C MET A 124 -13.033 -1.634 5.404 1.00 0.00 C ATOM 1979 O MET A 124 -13.476 -0.671 6.031 1.00 0.00 O ATOM 1980 CB MET A 124 -10.591 -1.973 4.969 1.00 0.00 C ATOM 1981 CG MET A 124 -10.263 -0.488 4.989 1.00 0.00 C ATOM 1982 SD MET A 124 -8.872 -0.070 3.920 1.00 0.00 S ATOM 1983 CE MET A 124 -9.539 -0.498 2.313 1.00 0.00 C ATOM 0 H MET A 124 -11.393 -4.301 5.196 1.00 0.00 H new ATOM 0 HA MET A 124 -11.551 -2.036 6.892 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.711 -2.536 5.280 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.816 -2.273 3.946 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.140 0.078 4.676 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.035 -0.184 6.011 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.950 -0.014 1.534 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.500 -1.579 2.179 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.574 -0.161 2.247 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.608 -2.105 4.302 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.822 -1.498 3.762 1.00 0.00 C ATOM 1995 C PHE A 125 -16.006 -1.699 4.702 1.00 0.00 C ATOM 1996 O PHE A 125 -16.737 -0.756 5.001 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.146 -2.074 2.383 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.123 -1.733 1.340 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.851 -0.410 1.025 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.431 -2.732 0.677 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.908 -0.093 0.068 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.487 -2.419 -0.282 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.225 -1.099 -0.587 1.00 0.00 C ATOM 0 H PHE A 125 -13.257 -2.900 3.768 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.640 -0.428 3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.228 -3.158 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.119 -1.703 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.383 0.381 1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.631 -3.767 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.704 0.941 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -11.954 -3.207 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.487 -0.853 -1.336 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.193 -2.934 5.162 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.289 -3.251 6.071 1.00 0.00 C ATOM 2015 C LEU A 126 -17.231 -2.374 7.315 1.00 0.00 C ATOM 2016 O LEU A 126 -18.261 -2.050 7.908 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.242 -4.728 6.467 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.040 -5.671 5.562 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.534 -5.607 4.128 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.968 -7.095 6.089 1.00 0.00 C ATOM 0 H LEU A 126 -15.601 -3.729 4.920 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.228 -3.054 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.201 -5.052 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.615 -4.826 7.486 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.081 -5.349 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.117 -6.286 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.637 -4.590 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.484 -5.900 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.540 -7.754 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.928 -7.422 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.384 -7.132 7.096 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.021 -1.996 7.709 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.829 -1.150 8.879 1.00 0.00 C ATOM 2034 C ASP A 127 -16.352 0.258 8.613 1.00 0.00 C ATOM 2035 O ASP A 127 -17.086 0.823 9.424 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.348 -1.096 9.259 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.112 -0.348 10.556 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.115 0.900 10.531 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.926 -1.011 11.598 1.00 0.00 O ATOM 0 H ASP A 127 -15.158 -2.262 7.235 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.390 -1.580 9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.962 -2.111 9.353 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.787 -0.615 8.458 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.969 0.817 7.467 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.399 2.158 7.086 1.00 0.00 C ATOM 2046 C TYR A 128 -17.920 2.230 6.989 1.00 0.00 C ATOM 2047 O TYR A 128 -18.534 3.213 7.406 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.769 2.560 5.749 1.00 0.00 C ATOM 2049 CG TYR A 128 -16.200 3.924 5.261 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -15.633 5.080 5.782 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -17.173 4.055 4.279 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -16.025 6.330 5.339 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -17.570 5.301 3.829 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.993 6.434 4.363 1.00 0.00 C ATOM 2055 OH TYR A 128 -17.385 7.675 3.918 1.00 0.00 O ATOM 0 H TYR A 128 -15.361 0.361 6.787 1.00 0.00 H new ATOM 0 HA TYR A 128 -16.067 2.854 7.857 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.684 2.546 5.850 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -16.029 1.816 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.873 5.001 6.546 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.627 3.169 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -15.575 7.219 5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -18.327 5.386 3.064 1.00 0.00 H new ATOM 0 HH TYR A 128 -18.074 7.573 3.229 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.521 1.181 6.437 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.969 1.121 6.288 1.00 0.00 C ATOM 2067 C ARG A 129 -20.643 0.935 7.643 1.00 0.00 C ATOM 2068 O ARG A 129 -21.754 1.415 7.866 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.361 -0.020 5.347 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.849 -0.069 5.037 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.178 -1.181 4.054 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.594 -1.194 3.698 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.094 -1.889 2.680 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.297 -2.625 1.917 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.394 -1.847 2.424 1.00 0.00 N ATOM 0 H ARG A 129 -18.027 0.361 6.086 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.306 2.064 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.807 0.083 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.060 -0.968 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.409 -0.221 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.167 0.888 4.625 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.578 -1.057 3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.905 -2.142 4.489 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.237 -0.638 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.296 -2.660 2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.685 -3.156 1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.011 -1.282 3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.778 -2.380 1.643 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.959 0.236 8.543 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.487 -0.012 9.880 1.00 0.00 C ATOM 2091 C ALA A 130 -20.591 1.286 10.671 1.00 0.00 C ATOM 2092 O ALA A 130 -21.459 1.433 11.532 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.611 -1.016 10.617 1.00 0.00 C ATOM 0 H ALA A 130 -19.039 -0.169 8.371 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.489 -0.430 9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.017 -1.191 11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.589 -1.955 10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.598 -0.622 10.702 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.700 2.227 10.375 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.692 3.517 11.056 1.00 0.00 C ATOM 2101 C GLU A 131 -20.891 4.362 10.637 1.00 0.00 C ATOM 2102 O GLU A 131 -21.282 5.295 11.339 1.00 0.00 O ATOM 2103 CB GLU A 131 -18.396 4.271 10.754 1.00 0.00 C ATOM 2104 CG GLU A 131 -17.148 3.569 11.263 1.00 0.00 C ATOM 2105 CD GLU A 131 -17.115 3.459 12.774 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -17.664 2.473 13.310 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.537 4.357 13.422 1.00 0.00 O ATOM 0 H GLU A 131 -18.973 2.120 9.667 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.756 3.331 12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -18.310 4.410 9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -18.451 5.264 11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -17.095 2.571 10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.266 4.112 10.923 1.00 0.00 H new